![N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine structure](/static/products/958/958960-82-2.png)
N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine
TL;DR: N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine (CAS 958960-82-2) is a chemical compound with molecular formula C14H19ClN2O3 and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[2-(4-chlorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid
Also Known As: N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine, (S)-2-(3-(4-chlorophenethyl)ureido)-3-methylbutanoic acid, (2S)-2-[2-(4-chlorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid
| Molecular Formula | C14H19ClN2O3 |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.10843 |
| Heavy Atoms | 20 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 958960-82-2 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NCCC1=CC=C(C=C1)Cl |
| InChIKey | CZHANOUMLNBAFE-LBPRGKRZSA-N |
Product Overview
N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine (CAS 958960-82-2), with molecular formula C14H19ClN2O3 and molecular weight 298.11 g/mol. IUPAC: (2S)-2-[2-(4-chlorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid.
Chemical Property Profile of N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine
Property Insights of N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine. Following Lipinski's Rule of Five, N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine has 3 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-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine?
The CAS number of N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine is 958960-82-2.
What is the molecular formula of N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine?
The molecular formula of N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine is C14H19ClN2O3.
What is the molecular weight of N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine?
The molecular weight of N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine is 298.11 g/mol.
Where can I buy N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine?
You can request a quote for N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine?
Yes, KEHONG BIO provides custom synthesis services for N-{[2-(4-chlorophenyl)ethyl]carbamoyl}-L-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.