![Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate structure](/static/products/1976/197638-64-5.webp)
Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate
TL;DR: Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate (CAS 197638-64-5) is a chemical compound with molecular formula C13H12F3N3O7 and molecular weight 379.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(3,5-dinitrobenzoyl)amino]-4,4,4-trifluorobutanoate
Also Known As: Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate, ethyl 3-(3,5-dinitrobenzamido)-4,4,4-trifluorobutanoate, ethyl 3-[(3,5-dinitrobenzoyl)amino]-4,4,4-trifluorobutanoate, Ethyl 3-[(3,5-dinitrobenzoyl)amino]-4,4,4-trifluoro-butanoate
| Molecular Formula | C13H12F3N3O7 |
|---|---|
| Molecular Weight | 379.06 g/mol |
| LogP | 2.1169 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.06274 |
| Heavy Atoms | 26 |
| Complexity | 703.9332 |
Chemical Identifiers
| CAS Number | 197638-64-5 |
|---|---|
| SMILES | CCOC(=O)CC(C(F)(F)F)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate (CAS 197638-64-5), with molecular formula C13H12F3N3O7 and molecular weight 379.06 g/mol. IUPAC: ethyl 3-[(3,5-dinitrobenzoyl)amino]-4,4,4-trifluorobutanoate.
Chemical Property Profile of Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate
Property Insights of Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate
The XLogP value of 2.1169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate. The TPSA of 141.68 Ų indicates high polarity, suggesting Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate has 1 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 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate?
The CAS number of Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate is 197638-64-5.
What is the molecular formula of Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate?
The molecular formula of Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate is C13H12F3N3O7.
What is the molecular weight of Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate?
The molecular weight of Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate is 379.06 g/mol.
Where can I buy Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate?
You can request a quote for Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(3,5-dinitrophenyl)formamido]-4,4,4-trifluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.