(2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid
TL;DR: (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid (CAS 474007-86-8) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(4-ethylbenzoyl)amino]-3-methylbutanoic acid
Also Known As: (2S)-2-[(4-ethylbenzoyl)amino]-3-methylbutanoic acid, (2S)-2-[(4-ETHYLPHENYL)FORMAMIDO]-3-METHYLBUTANOIC ACID, (2S)-2-(4-ethylphenyl)formamido-3-methylbutanoic acid, (2S)-2-[(4-ETHYLPHENYL)FORMAMIDO]-3-METHYLBUTANOICACID
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.088 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 423.17017 |
Chemical Identifiers
| CAS Number | 474007-86-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)O |
Product Overview
(2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid (CAS 474007-86-8), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: (2S)-2-[(4-ethylbenzoyl)amino]-3-methylbutanoic acid.
Chemical Property Profile of (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid
Property Insights of (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid
The XLogP value of 2.088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid. Following Lipinski's Rule of Five, (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid has 2 hydrogen bond donor(s) and 2 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-Ethylphenyl)formamido]-3-methylbutanoic acid?
The CAS number of (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid is 474007-86-8.
What is the molecular formula of (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid?
The molecular formula of (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid is C14H19NO3.
What is the molecular weight of (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid?
The molecular weight of (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid is 249.14 g/mol.
Where can I buy (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid?
You can request a quote for (2S)-2-[(4-Ethylphenyl)formamido]-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-Ethylphenyl)formamido]-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[(4-Ethylphenyl)formamido]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.