2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester
TL;DR: 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester (CAS 1009351-64-7) is a chemical compound with molecular formula C12H13Cl2NO3 and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,4-dichlorobenzoyl)amino]propanoate
Also Known As: ethyl N-[(3,4-dichlorophenyl)carbonyl]alaninate, BB 0217438, 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester, ethyl 2-[(3,4-dichlorobenzoyl)amino]propanoate, 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester
| Molecular Formula | C12H13Cl2NO3 |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 2.6748 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.02725 |
| Heavy Atoms | 18 |
| Complexity | 462.63577 |
Chemical Identifiers
| CAS Number | 1009351-64-7 |
|---|---|
| SMILES | CCOC(=O)C(C)NC(=O)C1=CC(=C(C=C1)Cl)Cl |
Product Overview
2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester (CAS 1009351-64-7), with molecular formula C12H13Cl2NO3 and molecular weight 289.03 g/mol. IUPAC: ethyl 2-[(3,4-dichlorobenzoyl)amino]propanoate.
Chemical Property Profile of 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester
Property Insights of 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester
The XLogP value of 2.6748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dichloro-benzoylamino)-propionic 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 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester?
The CAS number of 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester is 1009351-64-7.
What is the molecular formula of 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester?
The molecular formula of 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester is C12H13Cl2NO3.
What is the molecular weight of 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester?
The molecular weight of 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester is 289.03 g/mol.
Where can I buy 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester?
You can request a quote for 2-(3,4-Dichloro-benzoylamino)-propionic 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 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dichloro-benzoylamino)-propionic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.