2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester
TL;DR: 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester (CAS 328270-33-3) is a chemical compound with molecular formula C12H10Cl2F3NO3 and molecular weight 343.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate
Also Known As: Ethyl 2-chloro-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate, 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester, Alanine, 2-chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoro-, ethyl ester, Ethyl 2-chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalaninate, Ethyl 2-chloro-2-(4-chlorobenzamido)-3,3,3-trifluoropropionate
| Molecular Formula | C12H10Cl2F3NO3 |
|---|---|
| Molecular Weight | 343.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.999 |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 328270-33-3 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=C(C=C1)Cl)Cl |
| InChIKey | DCJQDQRFBLRLAR-UHFFFAOYSA-N |
Product Overview
2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester (CAS 328270-33-3), with molecular formula C12H10Cl2F3NO3 and molecular weight 343.00 g/mol. IUPAC: ethyl 2-chloro-2-[(4-chlorobenzoyl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester
Property Insights of 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester
The XLogP value of 3.8 indicates that 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine 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, 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester has 1 hydrogen bond donor(s) and 6 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-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester?
The CAS number of 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester is 328270-33-3.
What is the molecular formula of 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester?
The molecular formula of 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester is C12H10Cl2F3NO3.
What is the molecular weight of 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester?
The molecular weight of 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester is 343.00 g/mol.
Where can I buy 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester?
You can request a quote for 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine 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-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-(4-chlorobenzoyl)-3,3,3-trifluoroalanine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.