Boc-S-(4-methoxybenzyl)-L-cysteine supplier

Name
BOC-CYS(4-MEOBZL)-OH
EINECS 242-695-5
CAS No. 18942-46-6
Article Data13
CAS DataBase
Density 1.205 g/cm³
Solubility
Melting Point 127～130℃
Formula C₁₆H₂₃NO₅S
Boiling Point 514 °C at 760 mmHg
Molecular Weight 341.428
Flash Point 264.7 °C
Transport Information
Appearance white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,N-carboxy-3-[(p-methoxybenzyl)thio]-, N-tert-butyl ester, L- (8CI);N-(tert-Butoxycarbonyl)-S-(4-methoxybenzyl)cysteine;N-(tert-Butyloxycarbonyl)-S-(p-methoxybenzyl)-L-cysteine;NSC 334312;Na-(tert-Butoxycarbonyl)-S-(p-methoxybenzyl)-L-cysteine;Boc-Cys(pMeOBzl)-OH;
PSA 110.16000
LogP 3.29720

Boc-S-(4-methoxybenzyl)-L-cysteine Specification

The L-Cysteine,N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-, with the CAS registry number 18942-46-6, is also known as Boc-Cys(pMeOBzl)-OH and Boc-S-(4-methoxybenzyl)-L-cysteine. It belongs to the product categories of Amino Acid Derivatives; Amino Acids; Cysteine [Cys, C]; Boc-Amino Acids and Derivative; Boc-Amino Acid Series. Its EINECS registry number is 242-695-5. This chemical's molecular formula is C₁₆H₂₃NO₅S and molecular weight is 341.42. What's more, its IUPAC name is 3-[(4-Methoxyphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)
oxycarbonylamino]propanoic acid and systematic name is called N-(tert-Butoxycarbonyl)-S-(4-methoxybenzyl)-L-cysteine.

Physical properties about L-Cysteine,N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]- are: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 2.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.51; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 90.37 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 89.76 cm³; (15)Molar Volume: 283.1 cm³; (16)Surface Tension: 45.8 dyne/cm; (17) Density: 1.205 g/cm³; (18)Flash Point: 264.7 °C ; (19)Enthalpy of Vaporization: 82.71 kJ/mol; (20)Boiling Point: 514 °C at 760 mmHg; (21)Vapour Pressure: 2.17E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CSCc1ccc(OC)cc1
(2) InChI: InChI=1/C16H23NO5S/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
(3) InChIKey: VRTXRNJMNFVTOM-ZDUSSCGKBB

Product Name

BOC-CYS(4-MEOBZL)-OH

Boc-S-(4-methoxybenzyl)-L-cysteine Specification

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