间三氟甲基苯甲酰胺
TL;DR: 间三氟甲基苯甲酰胺 (CAS 1801-10-1) is a chemical compound with molecular formula C8H6F3NO and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间三氟甲基苯甲酰胺
3-(trifluoromethyl)benzamide
Also Known As: 3-(Trifluoromethyl)benzamide, zvr cxfff, m-(Trifluoromethyl)benzamide, Benzamide, 3-(trifluoromethyl)-, 3-Trifluoromethylbenzamide
| Molecular Formula | C8H6F3NO |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.04015 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 1801-10-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)N |
| InChIKey | XBGXGCOLWCMVOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间三氟甲基苯甲酰胺 (CAS 1801-10-1), with molecular formula C8H6F3NO and molecular weight 189.04 g/mol. IUPAC: 3-(trifluoromethyl)benzamide.
Chemical Property Profile of 间三氟甲基苯甲酰胺
Property Insights of 间三氟甲基苯甲酰胺
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间三氟甲基苯甲酰胺. With a topological polar surface area (TPSA) of 43.1 Ų, 间三氟甲基苯甲酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间三氟甲基苯甲酰胺 has 1 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 间三氟甲基苯甲酰胺?
The CAS number of 间三氟甲基苯甲酰胺 is 1801-10-1.
What is the molecular formula of 间三氟甲基苯甲酰胺?
The molecular formula of 间三氟甲基苯甲酰胺 is C8H6F3NO.
What is the molecular weight of 间三氟甲基苯甲酰胺?
The molecular weight of 间三氟甲基苯甲酰胺 is 189.04 g/mol.
Where can I buy 间三氟甲基苯甲酰胺?
You can request a quote for 间三氟甲基苯甲酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间三氟甲基苯甲酰胺?
Yes, KEHONG BIO provides custom synthesis services for 间三氟甲基苯甲酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.