Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester
TL;DR: Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester (CAS 328270-32-2) is a chemical compound with molecular formula C7H8Cl2F3NO3 and molecular weight 280.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-2-[(2-chloroacetyl)amino]-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-chloro-2-[(2-chloroacetyl)amino]-3,3,3-trifluoropropanoate, Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester, ethyl 2-chloro-2-(2-chloroacetamido)-3,3,3-trifluoropropanoate, Ethyl 2-chloro-N-(chloroacetyl)-3,3,3-trifluoroalaninate, Ethyl 2-chloro-2-(2-chloroacetamido)-3,3,3-trifluoropropionate
| Molecular Formula | C7H8Cl2F3NO3 |
|---|---|
| Molecular Weight | 280.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.98334 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 328270-32-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)CCl)Cl |
| InChIKey | IRSDCYYKDISRRJ-UHFFFAOYSA-N |
Product Overview
Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester (CAS 328270-32-2), with molecular formula C7H8Cl2F3NO3 and molecular weight 280.98 g/mol. IUPAC: ethyl 2-chloro-2-[(2-chloroacetyl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester
Property Insights of Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, 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 Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester?
The CAS number of Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester is 328270-32-2.
What is the molecular formula of Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester?
The molecular formula of Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester is C7H8Cl2F3NO3.
What is the molecular weight of Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester?
The molecular weight of Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester is 280.98 g/mol.
Where can I buy Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester?
You can request a quote for Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Alanine, 2-chloro-N-(chloroacetyl)-3,3,3-trifluoro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.