ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate
TL;DR: ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate (CAS 340029-31-4) is a chemical compound with molecular formula C14H18F3N3O5S and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate, 3,3,3-Trifluoro-2-propionylamino-2-(4-sulfamoyl-phenylamino)-propionic acid ethyl ester, ethyl 3,3,3-trifluoro-2-propionamido-2-((4-sulfamoylphenyl)amino)propanoate
| Molecular Formula | C14H18F3N3O5S |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 1.0938 |
| Topological Polar Surface Area | 127.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.09192 |
| Heavy Atoms | 26 |
| Complexity | 765.0272 |
Chemical Identifiers
| CAS Number | 340029-31-4 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)N |
Product Overview
ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate (CAS 340029-31-4), with molecular formula C14H18F3N3O5S and molecular weight 397.09 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate
Property Insights of ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate
The XLogP value of 1.0938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate. The TPSA of 127.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate has 3 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 ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate?
The CAS number of ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate is 340029-31-4.
What is the molecular formula of ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate?
The molecular formula of ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate is C14H18F3N3O5S.
What is the molecular weight of ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate?
The molecular weight of ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate is 397.09 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate?
You can request a quote for ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-sulfamoylanilino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.