Cefditoren supplier | CasNO.104145-95-1

Name
Cefditoren
EINECS
CAS No. 104145-95-1
Article Data7
CAS DataBase
Density 1.76 g/cm³
Solubility
Melting Point
Formula C₁₉H₁₈N₆O₅S₃
Boiling Point
Molecular Weight 506.587
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-,[6R-[3(Z),6a,7b(Z)]]-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-,(6R,7R)- (9CI);Cefditoren;Cefditoren acid;
PSA 246.10000
LogP 2.00100

Cefditoren Specification

This chemical is called Cefditoren, and its systematic name is 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino-3-(2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-, (6R-(3(Z),6alpha,7beta(Z)))-. With the molecular formula of C₁₉H₁₈N₆O₅S₃, its molecular weight is 506.578420 . The CAS registry number of this chemical is 104145-95-1.

Other characteristics of the Cefditoren can be summarised as followings: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 241.88 Å²; (13)Index of Refraction: 1.825; (14)Molar Refractivity: 125.861 cm³; (15)Molar Volume: 287.886 cm³; (16)Polarizability: 49.895×10^-24cm³; (17)Surface Tension: 81.282 dyne/cm; (18)Density: 1.76 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: O=C3N2/C(=C(/C=C\c1scnc1C)CS[C@@H]2[C@@H]3NC(=O)C(=N\OC)/c4nc(sc4)N)C(=O)O
2.InChI: InChI=1/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-4,6-7,13,17H,5H2,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,17-/m1/s1
3.InChIKey: KMIPKYQIOVAHOP-YLGJWRNMBM

Product Name

Cefditoren

Cefditoren Specification

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