Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester
TL;DR: Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester (CAS 96582-41-1) is a chemical compound with molecular formula C34H34N2O6S and molecular weight 598.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Also Known As: CARBOBENZYLOXY-S-BENZYL-L-CYSTEINYL-L-TYROSINE BENZYL ESTER, 668-991-8, benzyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate, RefChem:574231
| Molecular Formula | C34H34N2O6S |
|---|---|
| Molecular Weight | 598.21 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 598.21375 |
| Heavy Atoms | 43 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 96582-41-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CSCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | PWVRCEHAKNDRPN-UHFFFAOYSA-N |
Product Overview
Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester (CAS 96582-41-1), with molecular formula C34H34N2O6S and molecular weight 598.21 g/mol. IUPAC: benzyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate.
Chemical Property Profile of Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester
Property Insights of Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester
The XLogP value of 6.0 indicates that Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester. Following Lipinski's Rule of Five, Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester?
The CAS number of Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester is 96582-41-1.
What is the molecular formula of Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester?
The molecular formula of Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester is C34H34N2O6S.
What is the molecular weight of Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester?
The molecular weight of Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester is 598.21 g/mol.
Where can I buy Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester?
You can request a quote for Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbobenzyloxy-S-benzyl-L-cysteinyl-L-tyrosine benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.