N-(chloroacetyl)-DL-valine
TL;DR: N-(chloroacetyl)-DL-valine (CAS 4090-17-9) is a chemical compound with molecular formula C7H12ClNO3 and molecular weight 193.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloroacetyl)amino]-3-methylbutanoic acid
Also Known As: N-Chloroacetyl-DL-valine, Chloroacetyl-dl-valine, 2-(2-chloroacetamido)-3-methylbutanoic acid, Chloroacetyl-L-valine, N-Chloracetyl-valin
| Molecular Formula | C7H12ClNO3 |
|---|---|
| Molecular Weight | 193.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.05057 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 4090-17-9 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC(=O)CCl |
| InChIKey | LJRISAYPKJORFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(chloroacetyl)-DL-valine (CAS 4090-17-9), with molecular formula C7H12ClNO3 and molecular weight 193.05 g/mol. IUPAC: 2-[(2-chloroacetyl)amino]-3-methylbutanoic acid.
Chemical Property Profile of N-(chloroacetyl)-DL-valine
Property Insights of N-(chloroacetyl)-DL-valine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(chloroacetyl)-DL-valine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(chloroacetyl)-DL-valine. Following Lipinski's Rule of Five, N-(chloroacetyl)-DL-valine has 2 hydrogen bond donor(s) and 3 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-(chloroacetyl)-DL-valine?
The CAS number of N-(chloroacetyl)-DL-valine is 4090-17-9.
What is the molecular formula of N-(chloroacetyl)-DL-valine?
The molecular formula of N-(chloroacetyl)-DL-valine is C7H12ClNO3.
What is the molecular weight of N-(chloroacetyl)-DL-valine?
The molecular weight of N-(chloroacetyl)-DL-valine is 193.05 g/mol.
Where can I buy N-(chloroacetyl)-DL-valine?
You can request a quote for N-(chloroacetyl)-DL-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(chloroacetyl)-DL-valine?
Yes, KEHONG BIO provides custom synthesis services for N-(chloroacetyl)-DL-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.