Ethyl (3,5-dichlorophenyl)alaninate
TL;DR: Ethyl (3,5-dichlorophenyl)alaninate (CAS 83442-74-4) is a chemical compound with molecular formula C11H13Cl2NO2 and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,5-dichloroanilino)propanoate
Also Known As: Ethyl (3,5-dichlorophenyl)alaninate, N-(3,5-dichlorophenyl)alanine Ethyl Ester, Ethyl 2-[(3,5-dichlorophenyl)amino]propanoate, Alanine, N-(3,5-dichlorophenyl)-, ethyl ester
| Molecular Formula | C11H13Cl2NO2 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 3.3569 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.03235 |
| Heavy Atoms | 16 |
| Complexity | 361.99734 |
Chemical Identifiers
| CAS Number | 83442-74-4 |
|---|---|
| SMILES | CCOC(=O)C(C)NC1=CC(=CC(=C1)Cl)Cl |
Product Overview
Ethyl (3,5-dichlorophenyl)alaninate (CAS 83442-74-4), with molecular formula C11H13Cl2NO2 and molecular weight 261.03 g/mol. IUPAC: ethyl 2-(3,5-dichloroanilino)propanoate.
Chemical Property Profile of Ethyl (3,5-dichlorophenyl)alaninate
Property Insights of Ethyl (3,5-dichlorophenyl)alaninate
The XLogP value of 3.3569 indicates that Ethyl (3,5-dichlorophenyl)alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl (3,5-dichlorophenyl)alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (3,5-dichlorophenyl)alaninate 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 Ethyl (3,5-dichlorophenyl)alaninate?
The CAS number of Ethyl (3,5-dichlorophenyl)alaninate is 83442-74-4.
What is the molecular formula of Ethyl (3,5-dichlorophenyl)alaninate?
The molecular formula of Ethyl (3,5-dichlorophenyl)alaninate is C11H13Cl2NO2.
What is the molecular weight of Ethyl (3,5-dichlorophenyl)alaninate?
The molecular weight of Ethyl (3,5-dichlorophenyl)alaninate is 261.03 g/mol.
Where can I buy Ethyl (3,5-dichlorophenyl)alaninate?
You can request a quote for Ethyl (3,5-dichlorophenyl)alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3,5-dichlorophenyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3,5-dichlorophenyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.