3-TrifluoroMethyl-Benzamidine
TL;DR: 3-TrifluoroMethyl-Benzamidine (CAS 62980-03-4) is a chemical compound with molecular formula C8H7F3N2 and molecular weight 188.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)benzenecarboximidamide
Also Known As: 3-TrifluoroMethyl-Benzamidine, 3-(trifluoromethyl)benzamidine, 3-(Trifluoromethyl)benzimidamide, 3-trifluoromethylbenzamidine, 3-(trifluoromethyl)benzene-1-carboximidamide
| Molecular Formula | C8H7F3N2 |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.05614 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 62980-03-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=N)N |
| InChIKey | QDVHJZUOARUZME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-TrifluoroMethyl-Benzamidine (CAS 62980-03-4), with molecular formula C8H7F3N2 and molecular weight 188.06 g/mol. IUPAC: 3-(trifluoromethyl)benzenecarboximidamide.
Chemical Property Profile of 3-TrifluoroMethyl-Benzamidine
Property Insights of 3-TrifluoroMethyl-Benzamidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-TrifluoroMethyl-Benzamidine. With a topological polar surface area (TPSA) of 49.9 Ų, 3-TrifluoroMethyl-Benzamidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-TrifluoroMethyl-Benzamidine 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 3-TrifluoroMethyl-Benzamidine?
The CAS number of 3-TrifluoroMethyl-Benzamidine is 62980-03-4.
What is the molecular formula of 3-TrifluoroMethyl-Benzamidine?
The molecular formula of 3-TrifluoroMethyl-Benzamidine is C8H7F3N2.
What is the molecular weight of 3-TrifluoroMethyl-Benzamidine?
The molecular weight of 3-TrifluoroMethyl-Benzamidine is 188.06 g/mol.
Where can I buy 3-TrifluoroMethyl-Benzamidine?
You can request a quote for 3-TrifluoroMethyl-Benzamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-TrifluoroMethyl-Benzamidine?
Yes, KEHONG BIO provides custom synthesis services for 3-TrifluoroMethyl-Benzamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.