N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide
TL;DR: N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide (CAS 452088-99-2) is a chemical compound with molecular formula C12H11F3N2O4 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide
Also Known As: 1-benzoyl-3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]urea, N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide, N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide, phenyl{3-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ureido}methanone, N-({[2-(trifluoromethyl)-1,3-dioxolan-2-yl]amino}carbonyl)benzamide
| Molecular Formula | C12H11F3N2O4 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 1.3889 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.06708 |
| Heavy Atoms | 21 |
| Complexity | 527.05414 |
Chemical Identifiers
| CAS Number | 452088-99-2 |
|---|---|
| SMILES | C1COC(O1)(C(F)(F)F)NC(=O)NC(=O)C2=CC=CC=C2 |
Product Overview
N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide (CAS 452088-99-2), with molecular formula C12H11F3N2O4 and molecular weight 304.07 g/mol. IUPAC: N-[[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamoyl]benzamide.
Chemical Property Profile of N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide
Property Insights of N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide
The XLogP value of 1.3889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide. Following Lipinski's Rule of Five, N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide 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 N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide?
The CAS number of N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide is 452088-99-2.
What is the molecular formula of N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide?
The molecular formula of N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide is C12H11F3N2O4.
What is the molecular weight of N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide?
The molecular weight of N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide is 304.07 g/mol.
Where can I buy N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide?
You can request a quote for N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((2-(trifluoromethyl)-1,3-dioxolan-2-yl)carbamoyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.