Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate
TL;DR: Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate (CAS 354773-07-2) is a chemical compound with molecular formula C13H14ClF3N2O4 and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorophenyl)carbamoylamino]-3,3,3-trifluoro-2-methoxypropanoate
Also Known As: NCI60_025569, ethyl 2-(3-(4-chlorophenyl)ureido)-3,3,3-trifluoro-2-methoxypropanoate, ethyl N-[(4-chlorophenyl)carbamoyl]-3,3,3-trifluoro-2-methoxyalaninate, Alanine, N-[[(4-chlorophenyl)amino]carbonyl]-3,3,3-trifluoro-2-methoxy-, ethyl ester, Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate
| Molecular Formula | C13H14ClF3N2O4 |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.05942 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 354773-07-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)Cl)OC |
| InChIKey | FVWDIFJPYUFGTJ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate (CAS 354773-07-2), with molecular formula C13H14ClF3N2O4 and molecular weight 354.06 g/mol. IUPAC: ethyl 2-[(4-chlorophenyl)carbamoylamino]-3,3,3-trifluoro-2-methoxypropanoate.
Chemical Property Profile of Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate
Property Insights of Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate. Following Lipinski's Rule of Five, Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate has 2 hydrogen bond donor(s) and 7 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 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate?
The CAS number of Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate is 354773-07-2.
What is the molecular formula of Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate?
The molecular formula of Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate is C13H14ClF3N2O4.
What is the molecular weight of Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate?
The molecular weight of Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate is 354.06 g/mol.
Where can I buy Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate?
You can request a quote for Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(((4-chloroanilino)carbonyl)amino)-3,3,3-trifluoro-2-methoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.