![Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate structure](/static/products/372/372175-59-2.png)
Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate
TL;DR: Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate (CAS 372175-59-2) is a chemical compound with molecular formula C12H6ClF8NO3 and molecular weight 398.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate
Also Known As: NCI60_030478, ethyl 2-chloro-3,3,3-trifluoro-2-(perfluorobenzamido)propanoate, ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate, ethyl 2-chloro-3,3,3-trifluoro-N-[(pentafluorophenyl)carbonyl]alaninate, Ethyl 2-chloro-3,3,3-trifluoro-2-((2,3,4,5,6-pentafluorobenzoyl)amino)propanoate
| Molecular Formula | C12H6ClF8NO3 |
|---|---|
| Molecular Weight | 398.99 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.99084 |
| Heavy Atoms | 25 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 372175-59-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)Cl |
| InChIKey | YRMNVTUWZMPAIT-UHFFFAOYSA-N |
Product Overview
Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate (CAS 372175-59-2), with molecular formula C12H6ClF8NO3 and molecular weight 398.99 g/mol. IUPAC: ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate.
Chemical Property Profile of Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate
Property Insights of Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate
The XLogP value of 3.6 indicates that Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate?
The CAS number of Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate is 372175-59-2.
What is the molecular formula of Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate?
The molecular formula of Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate is C12H6ClF8NO3.
What is the molecular weight of Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate?
The molecular weight of Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate is 398.99 g/mol.
Where can I buy Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate?
You can request a quote for Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-3,3,3-trifluoro-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.