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S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide
TL;DR: S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide (CAS 17327-70-7) is a chemical compound with molecular formula C27H29N3O4S and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-benzylsulfanyl-1-oxopropan-2-yl]carbamate
Also Known As: S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide, BENZYL N-[2-BENZYLSULFANYL-1-[(1-CARBAMOYL-2-PHENYL-ETHYL)CARBAMOYL]ETHYL]CARBAMATE, benzyl N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-benzylsulfanyl-1-oxopropan-2-yl]carbamate
| Molecular Formula | C27H29N3O4S |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 491.18787 |
| Heavy Atoms | 35 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 17327-70-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | FLIGRGNBJXIRSH-UHFFFAOYSA-N |
Product Overview
S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide (CAS 17327-70-7), with molecular formula C27H29N3O4S and molecular weight 491.19 g/mol. IUPAC: benzyl N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-benzylsulfanyl-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide
Property Insights of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide
The XLogP value of 3.9 indicates that S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide. Following Lipinski's Rule of Five, S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide has 3 hydrogen bond donor(s) and 5 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 S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide?
The CAS number of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide is 17327-70-7.
What is the molecular formula of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide?
The molecular formula of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide is C27H29N3O4S.
What is the molecular weight of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide?
The molecular weight of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide is 491.19 g/mol.
Where can I buy S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide?
You can request a quote for S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide?
Yes, KEHONG BIO provides custom synthesis services for S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylphenylalaninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.