(S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid
TL;DR: (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid (CAS 958843-59-9) is a chemical compound with molecular formula C13H17ClN2O3 and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(4-chlorophenyl)methylcarbamoylamino]-3-methylbutanoic acid
Also Known As: (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid, (2S)-2-[(4-chlorophenyl)methylcarbamoylamino]-3-methylbutanoic acid
| Molecular Formula | C13H17ClN2O3 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.09277 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 958843-59-9 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NCC1=CC=C(C=C1)Cl |
| InChIKey | HRDSGQWTXGCKGJ-NSHDSACASA-N |
Product Overview
(S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid (CAS 958843-59-9), with molecular formula C13H17ClN2O3 and molecular weight 284.09 g/mol. IUPAC: (2S)-2-[(4-chlorophenyl)methylcarbamoylamino]-3-methylbutanoic acid.
Chemical Property Profile of (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid
Property Insights of (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid. Following Lipinski's Rule of Five, (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic 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 (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid?
The CAS number of (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid is 958843-59-9.
What is the molecular formula of (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid?
The molecular formula of (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid is C13H17ClN2O3.
What is the molecular weight of (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid?
The molecular weight of (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid is 284.09 g/mol.
Where can I buy (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid?
You can request a quote for (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-(4-chlorobenzyl)ureido)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.