Ethyl N-(3,4-dichlorophenyl)alaninate
TL;DR: Ethyl N-(3,4-dichlorophenyl)alaninate (CAS 38585-62-5) 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 (2S)-2-(3,4-dichloroanilino)propanoate
Also Known As: ethyl n-(3,4-dichlorophenyl)-l-alaninate, Ethyl N-(3,4-dichlorophenyl)alaninate, N-(3,4-Dichlorophenyl)-L-alanine ethyl ester, N-(3,4dichlorophenyl)alanine Ethyl Ester, N-(3,4-dichlorophenyl)alanine Ethyl Ester
| Molecular Formula | C11H13Cl2NO2 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.03235 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 38585-62-5 |
|---|---|
| SMILES | CCOC(=O)[C@H](C)NC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | TUFYEVMTXRPQQK-ZETCQYMHSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl N-(3,4-dichlorophenyl)alaninate (CAS 38585-62-5), with molecular formula C11H13Cl2NO2 and molecular weight 261.03 g/mol. IUPAC: ethyl (2S)-2-(3,4-dichloroanilino)propanoate.
Chemical Property Profile of Ethyl N-(3,4-dichlorophenyl)alaninate
Property Insights of Ethyl N-(3,4-dichlorophenyl)alaninate
The XLogP value of 3.9 indicates that Ethyl N-(3,4-dichlorophenyl)alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl N-(3,4-dichlorophenyl)alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-(3,4-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 N-(3,4-dichlorophenyl)alaninate?
The CAS number of Ethyl N-(3,4-dichlorophenyl)alaninate is 38585-62-5.
What is the molecular formula of Ethyl N-(3,4-dichlorophenyl)alaninate?
The molecular formula of Ethyl N-(3,4-dichlorophenyl)alaninate is C11H13Cl2NO2.
What is the molecular weight of Ethyl N-(3,4-dichlorophenyl)alaninate?
The molecular weight of Ethyl N-(3,4-dichlorophenyl)alaninate is 261.03 g/mol.
Where can I buy Ethyl N-(3,4-dichlorophenyl)alaninate?
You can request a quote for Ethyl N-(3,4-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 N-(3,4-dichlorophenyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(3,4-dichlorophenyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.