N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid
TL;DR: N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid (CAS 5347-19-3) is a chemical compound with molecular formula C15H20F3NO and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-heptan-4-yl-2-(trifluoromethyl)benzamide
Also Known As: N-(1-Propylbutyl)-2-(trifluoromethyl)benzamide, n-(heptan-4-yl)-2-(trifluoromethyl)benzamide, N-heptan-4-yl-2-(trifluoromethyl)benzamide, Benzamide, N-(1-propylbutyl)-2-(trifluoromethyl)-, N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid
| Molecular Formula | C15H20F3NO |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.1497 |
| Heavy Atoms | 20 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 5347-19-3 |
|---|---|
| SMILES | CCCC(CCC)NC(=O)C1=CC=CC=C1C(F)(F)F |
| InChIKey | DWXLLQDCAFEANM-UHFFFAOYSA-N |
Product Overview
N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid (CAS 5347-19-3), with molecular formula C15H20F3NO and molecular weight 287.15 g/mol. IUPAC: N-heptan-4-yl-2-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid
Property Insights of N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid
The XLogP value of 3.6 indicates that N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid 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 N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid?
The CAS number of N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid is 5347-19-3.
What is the molecular formula of N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid?
The molecular formula of N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid is C15H20F3NO.
What is the molecular weight of N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid?
The molecular weight of N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid is 287.15 g/mol.
Where can I buy N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid?
You can request a quote for N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.