Phenylacetylcysteinylvaline
TL;DR: Phenylacetylcysteinylvaline (CAS 101770-15-4) is a chemical compound with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-methyl-2-[[(2R)-2-[(2-phenylacetyl)amino]-3-sulfanylpropanoyl]amino]butanoic acid
Also Known As: Phenylacetylcysteinylvaline, Phenylacetyl-L-cysteinyl-D-valine, N-(N-phenylacetyl-L-cysteinyl)-D-valine, D-Valine, N-(N-(phenylacetyl)-L-cystinyl)-, D-Valine, N-[N-(phenylacetyl)-L-cysteinyl]- (9CI)
| Molecular Formula | C16H22N2O4S |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.13004 |
| Heavy Atoms | 23 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 101770-15-4 |
|---|---|
| SMILES | CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CC1=CC=CC=C1 |
| InChIKey | GHKVIBLDOGCQDR-GXTWGEPZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylacetylcysteinylvaline (CAS 101770-15-4), with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol. IUPAC: (2R)-3-methyl-2-[[(2R)-2-[(2-phenylacetyl)amino]-3-sulfanylpropanoyl]amino]butanoic acid.
Chemical Property Profile of Phenylacetylcysteinylvaline
Property Insights of Phenylacetylcysteinylvaline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylacetylcysteinylvaline. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylacetylcysteinylvaline. Following Lipinski's Rule of Five, Phenylacetylcysteinylvaline has 4 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 Phenylacetylcysteinylvaline?
The CAS number of Phenylacetylcysteinylvaline is 101770-15-4.
What is the molecular formula of Phenylacetylcysteinylvaline?
The molecular formula of Phenylacetylcysteinylvaline is C16H22N2O4S.
What is the molecular weight of Phenylacetylcysteinylvaline?
The molecular weight of Phenylacetylcysteinylvaline is 338.13 g/mol.
Where can I buy Phenylacetylcysteinylvaline?
You can request a quote for Phenylacetylcysteinylvaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylacetylcysteinylvaline?
Yes, KEHONG BIO provides custom synthesis services for Phenylacetylcysteinylvaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.