Bionet1_002796
TL;DR: Bionet1_002796 (CAS 318237-97-7) is a chemical compound with molecular formula C18H21F3N2O4 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(propan-2-ylcarbamoyl)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
Also Known As: Bionet1_002796, ethyl 2-[(isopropylamino)carbonyl]-3-{[3-(trifluoromethyl)anilino]carbonyl}cyclopropanecarboxylate, ethyl 2-(propan-2-ylcarbamoyl)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylate, ethyl 2-[(propan-2-yl)carbamoyl]-3-{[3-(trifluoromethyl)phenyl]carbamoyl}cyclopropane-1-carboxylate, 2-(isopropylcarbamoyl)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropanecarboxylic acid ethyl ester
| Molecular Formula | C18H21F3N2O4 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 2.5938 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.14536 |
| Heavy Atoms | 27 |
| Complexity | 733.5621 |
Chemical Identifiers
| CAS Number | 318237-97-7 |
|---|---|
| SMILES | CCOC(=O)C1C(C1C(=O)NC(C)C)C(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
Bionet1_002796 (CAS 318237-97-7), with molecular formula C18H21F3N2O4 and molecular weight 386.15 g/mol. IUPAC: ethyl 2-(propan-2-ylcarbamoyl)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylate.
Chemical Property Profile of Bionet1_002796
Property Insights of Bionet1_002796
The XLogP value of 2.5938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_002796. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002796. Following Lipinski's Rule of Five, Bionet1_002796 has 2 hydrogen bond donor(s) and 4 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 Bionet1_002796?
The CAS number of Bionet1_002796 is 318237-97-7.
What is the molecular formula of Bionet1_002796?
The molecular formula of Bionet1_002796 is C18H21F3N2O4.
What is the molecular weight of Bionet1_002796?
The molecular weight of Bionet1_002796 is 386.15 g/mol.
Where can I buy Bionet1_002796?
You can request a quote for Bionet1_002796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002796?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.