![S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide structure](/static/products/7057/70577-29-6.webp)
S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide
TL;DR: S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide (CAS 70577-29-6) is a chemical compound with molecular formula C23H29N3O4S and molecular weight 443.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-benzylsulfanyl-1-oxopropan-2-yl]carbamate
Also Known As: S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide, benzyl N-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-benzylsulfanyl-1-oxopropan-2-yl]carbamate
| Molecular Formula | C23H29N3O4S |
|---|---|
| Molecular Weight | 443.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 443.18787 |
| Heavy Atoms | 31 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 70577-29-6 |
|---|---|
| SMILES | CC(C)C(C(=O)N)NC(=O)C(CSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | ZAPMIDFJTRZCNZ-UHFFFAOYSA-N |
Product Overview
S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide (CAS 70577-29-6), with molecular formula C23H29N3O4S and molecular weight 443.19 g/mol. IUPAC: benzyl N-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-benzylsulfanyl-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide
Property Insights of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide
The XLogP value of 3.3 indicates that S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide 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]cysteinylvalinamide. Following Lipinski's Rule of Five, S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide 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]cysteinylvalinamide?
The CAS number of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide is 70577-29-6.
What is the molecular formula of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide?
The molecular formula of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide is C23H29N3O4S.
What is the molecular weight of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide?
The molecular weight of S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide is 443.19 g/mol.
Where can I buy S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide?
You can request a quote for S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide 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]cysteinylvalinamide?
Yes, KEHONG BIO provides custom synthesis services for S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.