![(2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid structure](/static/products/958/958960-86-6.png)
(2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid
TL;DR: (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid (CAS 958960-86-6) is a chemical compound with molecular formula C16H24N2O3 and molecular weight 292.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid
Also Known As: (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid, (S)-2-(3-(4-butylphenyl)ureido)-3-methylbutanoic acid, (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methyl-butanoic acid, (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methyl-butyric acid, (2S)-2-[[(4-butylanilino)-oxomethyl]amino]-3-methylbutanoic acid
| Molecular Formula | C16H24N2O3 |
|---|---|
| Molecular Weight | 292.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.17868 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 958960-86-6 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=O)N[C@@H](C(C)C)C(=O)O |
| InChIKey | JXVJNBCLPZAWOF-AWEZNQCLSA-N |
Product Overview
(2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid (CAS 958960-86-6), with molecular formula C16H24N2O3 and molecular weight 292.18 g/mol. IUPAC: (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid.
Chemical Property Profile of (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid
Property Insights of (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid
The XLogP value of 3.8 indicates that (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid. Following Lipinski's Rule of Five, (2S)-2-[(4-butylphenyl)carbamoylamino]-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 (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid?
The CAS number of (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid is 958960-86-6.
What is the molecular formula of (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid?
The molecular formula of (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid is C16H24N2O3.
What is the molecular weight of (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid?
The molecular weight of (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid is 292.18 g/mol.
Where can I buy (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid?
You can request a quote for (2S)-2-[(4-butylphenyl)carbamoylamino]-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 (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.