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n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine
TL;DR: n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine (CAS 17604-92-1) 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.
3-ethylsulfanyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Also Known As: n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine, 3-ethylsulfanyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid, Alanine,n-(n-carboxy-3-phenyl-d-alanyl)-3-(ethylthio)-, n-benzyl ester, l-(8ci), N-(2-{[(Benzyloxy)(hydroxy)methylidene]amino}-1-hydroxy-3-phenylpropylidene)-S-ethylcysteine
| Molecular Formula | C22H26N2O5S |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 430.15625 |
| Heavy Atoms | 30 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 17604-92-1 |
|---|---|
| SMILES | CCSCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | PGVDOYUOKCZZMS-UHFFFAOYSA-N |
Product Overview
n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine (CAS 17604-92-1), with molecular formula C22H26N2O5S and molecular weight 430.16 g/mol. IUPAC: 3-ethylsulfanyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid.
Chemical Property Profile of n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine
Property Insights of n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine. Following Lipinski's Rule of Five, n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine has 3 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 n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine?
The CAS number of n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine is 17604-92-1.
What is the molecular formula of n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine?
The molecular formula of n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine is C22H26N2O5S.
What is the molecular weight of n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine?
The molecular weight of n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine is 430.16 g/mol.
Where can I buy n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine?
You can request a quote for n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine?
Yes, KEHONG BIO provides custom synthesis services for n-[(benzyloxy)carbonyl]phenylalanyl-s-ethylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.