![methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate structure](/static/products/2469/24692-77-1.webp)
methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate
TL;DR: methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate (CAS 24692-77-1) is a chemical compound with molecular formula C22H26N2O5S and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate
Also Known As: methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate, methyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate, methyl 2-(2-{[(benzyloxy)carbonyl]amino}propanamido)-3-(benzylsulfanyl)propanoate, methyl (2R)-2-[((2S)-2-{[(benzyloxy)carbonyl]amino}propanoyl)amino]-3-(benzylthio)propanoate
| Molecular Formula | C22H26N2O5S |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 430.15625 |
| Heavy Atoms | 30 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 24692-77-1 |
|---|---|
| SMILES | CC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | PJKOLNKWGPPYIW-UHFFFAOYSA-N |
Product Overview
methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate (CAS 24692-77-1), with molecular formula C22H26N2O5S and molecular weight 430.16 g/mol. IUPAC: methyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate.
Chemical Property Profile of methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate
Property Insights of methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate
The XLogP value of 3.3 indicates that methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate 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 methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate. Following Lipinski's Rule of Five, methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate 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 methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate?
The CAS number of methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate is 24692-77-1.
What is the molecular formula of methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate?
The molecular formula of methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate is C22H26N2O5S.
What is the molecular weight of methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate?
The molecular weight of methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate is 430.16 g/mol.
Where can I buy methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate?
You can request a quote for methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[(benzyloxy)carbonyl]alanyl-S-benzylcysteinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.