Protected Imipenem supplier | CasNO.98367-45-4

Name
Protected Imipenem
EINECS
CAS No. 98367-45-4
Density 1.55g/cm³
Solubility
Melting Point
Formula C₂₇H₂₇N₅O₁₀S
Boiling Point 791.6°C at 760 mmHg
Molecular Weight 613.61
Flash Point 432.5°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid,6-(1-hydroxyethyl)-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-7-oxo-,(4-nitrophenyl)methyl ester, [5R-[5a,6a(R*)]]- (9CI);(5R,6S)-4-Nitrobenzyl-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylate;Bis Protected Imipenem;
PSA 234.47000
LogP 4.43240

Protected Imipenem Specification

The protected imipenem with cas registry number of 98367-45-4, is also named 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid,6-(1-hydroxyethyl)-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-7-oxo-,(4-nitrophenyl)methyl ester, [5R-[5a,6a(R*)]]- (9CI) ; (5R,6S)-4-Nitrobenzyl-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylate ; Bis Protected Imipenem ; (4R,5S,6S)-4-NITROBENZYL-3-[[(3S,5S)-5-[(DIMETHYLAMINO)CARBONYL]-1-[[(4-NITROBENZYL)OXY] CARBONYL]-3-PYRROLIDINYL]THIO]-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3,2,0] HEPT-2-ENE-2-CARBOXYLATE .

Preparation of Protected Imipenem : (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.69; (5)#H bond acceptors: 13; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 12; (8)Polar Surface Area: 208.17 Å²; (9)Index of Refraction: 1.711; (10)Molar Refractivity: 135.91 cm³; (11)Molar Volume: 347.1 cm³; (12)Polarizability: 53.88×10^-24cm³; (13)Surface Tension: 70.1 dyne/cm; (14)Enthalpy of Vaporization: 120.75 kJ/mol; (15)Vapour Pressure: 2.06E-26 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:CC(C1C2CC(=C(N2C1=O)C(=O)Oc3ccc(cc3)[N+](=O)[O-])SCCNC=Nc4ccc(cc4)[N+](=O)[O-])O; (2)InChI:InChI=1/C24H23N5O8S/c1-14(30)21-19-12-20(38-11-10-25-13-26-15-2-4-16(5-3-15)28(33)34)22(27(19)23(21)31)24(32)37-18-8-6-17(7-9-18)29(35)36/h2-9,13-14,19,21,30H,10-12H2,1H3,(H,25,26)/t14?,19-,21-/m1/s1; (3)InChIKey:YDWAQCQEJLIZEJ-VDSOWTFZBW; (4)Std. InChI:InChI=1S/C24H23N5O8S/c1-14(30)21-19-12-20(38-11-10-25-13-26-15-2-4-16(5-3-15)28(33)34)22(27(19)23(21)31)24(32)37-18-8-6-17(7-9-18)29(35)36/h2-9,13-14,19,21,30H,10-12H2,1H3,(H,25,26)/t14?,19-,21-/m1/s1; (5)Std. InChIKey:YDWAQCQEJLIZEJ-VDSOWTFZSA-N.

Product Name

Protected Imipenem

Protected Imipenem Specification

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