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Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate
TL;DR: Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate (CAS 2601-46-9) is a chemical compound with molecular formula C27H28N2O5S and molecular weight 492.17 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]acetate
Also Known As: Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate, benzyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate, Glycine,N-[3-(benzylthio)-N-carboxy-L-alanyl]-,dibenzyl ester (6CI,7CI,8CI), Glycine,N-[N-[(phenylmethoxy)carbonyl]-S-(phenylmethyl)-L-cysteinyl]-, phenylmethylester (9CI)
| Molecular Formula | C27H28N2O5S |
|---|---|
| Molecular Weight | 492.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 492.1719 |
| Heavy Atoms | 35 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 2601-46-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CNC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | JYNSSCCSPXKPOS-UHFFFAOYSA-N |
Product Overview
Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate (CAS 2601-46-9), with molecular formula C27H28N2O5S and molecular weight 492.17 g/mol. IUPAC: benzyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate.
Chemical Property Profile of Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate
Property Insights of Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate
The XLogP value of 4.4 indicates that Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate. Following Lipinski's Rule of Five, Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate?
The CAS number of Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate is 2601-46-9.
What is the molecular formula of Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate?
The molecular formula of Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate is C27H28N2O5S.
What is the molecular weight of Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate?
The molecular weight of Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate is 492.17 g/mol.
Where can I buy Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate?
You can request a quote for Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylglycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.