(2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid
TL;DR: (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid (CAS 958846-35-0) 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-chlorophenyl)methylcarbamoylamino]-3-methylpentanoic acid
Also Known As: (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid, (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-3-methylpentanoic acid
| Molecular Formula | C14H19ClN2O3 |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 2.8 |
| 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 | 338.0 |
Chemical Identifiers
| CAS Number | 958846-35-0 |
|---|---|
| SMILES | CCC(C)[C@@H](C(=O)O)NC(=O)NCC1=CC=CC=C1Cl |
| InChIKey | QBNIMJWJKYAAJG-ACGXKRRESA-N |
Product Overview
(2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid (CAS 958846-35-0), with molecular formula C14H19ClN2O3 and molecular weight 298.11 g/mol. IUPAC: (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-3-methylpentanoic acid.
Chemical Property Profile of (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid
Property Insights of (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid. Following Lipinski's Rule of Five, (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid 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 (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid?
The CAS number of (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid is 958846-35-0.
What is the molecular formula of (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid?
The molecular formula of (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid is C14H19ClN2O3.
What is the molecular weight of (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid?
The molecular weight of (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid is 298.11 g/mol.
Where can I buy (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid?
You can request a quote for (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R)-2-(3-(2-chlorobenzyl)ureido)-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.