4-(3-Trifluoromethyldiazirino)benzoic acid
TL;DR: 4-(3-Trifluoromethyldiazirino)benzoic acid (CAS 92016-75-6) is a chemical compound with molecular formula C9H5F3N2O2 and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid
Also Known As: TDBA, 4-Atfeb, 4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]BENZOIC ACID, 4-(3-(trifluoromethyl)-3h-diazirin-3-yl)benzoic acid, CF3-Diazirine-Ph-COOH
| Molecular Formula | C9H5F3N2O2 |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.03032 |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 92016-75-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)C2(N=N2)C(F)(F)F |
| InChIKey | CZPAJVBVULSLGG-UHFFFAOYSA-N |
Product Overview
4-(3-Trifluoromethyldiazirino)benzoic acid (CAS 92016-75-6), with molecular formula C9H5F3N2O2 and molecular weight 230.03 g/mol. IUPAC: 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid.
Chemical Property Profile of 4-(3-Trifluoromethyldiazirino)benzoic acid
Property Insights of 4-(3-Trifluoromethyldiazirino)benzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Trifluoromethyldiazirino)benzoic acid. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Trifluoromethyldiazirino)benzoic acid. Following Lipinski's Rule of Five, 4-(3-Trifluoromethyldiazirino)benzoic acid 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 4-(3-Trifluoromethyldiazirino)benzoic acid?
The CAS number of 4-(3-Trifluoromethyldiazirino)benzoic acid is 92016-75-6.
What is the molecular formula of 4-(3-Trifluoromethyldiazirino)benzoic acid?
The molecular formula of 4-(3-Trifluoromethyldiazirino)benzoic acid is C9H5F3N2O2.
What is the molecular weight of 4-(3-Trifluoromethyldiazirino)benzoic acid?
The molecular weight of 4-(3-Trifluoromethyldiazirino)benzoic acid is 230.03 g/mol.
Where can I buy 4-(3-Trifluoromethyldiazirino)benzoic acid?
You can request a quote for 4-(3-Trifluoromethyldiazirino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Trifluoromethyldiazirino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Trifluoromethyldiazirino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.