(S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester
TL;DR: (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester (CAS 1212407-66-3) is a chemical compound with molecular formula C14H18ClNO3 and molecular weight 283.09753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoate
Also Known As: BB 0217441, (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester, ethyl (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoate, (S)-2-(4-Chloro-benzoylamino)-3-methyl-buty ric acid ethyl ester
Technical Specifications
| Molecular Formula | C14H18ClNO3 |
| Molecular Weight | 283.09753 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.09753 Da |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
| SMILES | CCOC(=O)[C@H](C(C)C)NC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | JDFUEUUAQCZJGY-LBPRGKRZSA-N |
Chemical Property Profile of (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester
Property Insights of (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester
The XLogP value of 3.5 indicates that (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, (S)-2-(4-Chloro-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-(4-Chloro-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
What is the CAS number of (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester?
The CAS number of (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester is 1212407-66-3.
What is the molecular formula of (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester?
The molecular formula of (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester is C14H18ClNO3.
What is the molecular weight of (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester?
The molecular weight of (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester is 283.09753 g/mol.
Where can I buy (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester?
You can request a quote for (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for (S)-2-(4-Chloro-benzoylamino)-3-methyl-butyric acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.