(S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester
TL;DR: (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester (CAS 42807-41-0) 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.
ethyl (2S)-2-benzamido-3-methylbutanoate
Also Known As: Ethyl N-benzoylvalinate, ethyl (2S)-2-benzamido-3-methylbutanoate, (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester, BB 0217249, J2.513.008A
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.0041 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 400.75995 |
Chemical Identifiers
| CAS Number | 42807-41-0 |
|---|---|
| SMILES | CCOC(=O)[C@H](C(C)C)NC(=O)C1=CC=CC=C1 |
Product Overview
(S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester (CAS 42807-41-0), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: ethyl (2S)-2-benzamido-3-methylbutanoate.
Chemical Property Profile of (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester
Property Insights of (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester
The XLogP value of 2.0041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester has 1 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-Benzoylamino-3-methyl-butyric acid ethyl ester?
The CAS number of (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester is 42807-41-0.
What is the molecular formula of (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester?
The molecular formula of (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester is C14H19NO3.
What is the molecular weight of (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester?
The molecular weight of (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester is 249.14 g/mol.
Where can I buy (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester?
You can request a quote for (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-Benzoylamino-3-methyl-butyric acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.