2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid
TL;DR: 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid (CAS 1024151-62-9) is a chemical compound with molecular formula C16H17ClF3N3O3 and molecular weight 391.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]cyclopropane-1-carboxylic acid
Also Known As: 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid, 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl]cyclopropane-1-carboxylic acid, 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl}cyclopropane-1-carboxylic acid, 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]cyclopropanecarboxylic acid, 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl}cyclopropane-1-carboxylicacid
| Molecular Formula | C16H17ClF3N3O3 |
|---|---|
| Molecular Weight | 391.09 g/mol |
| LogP | 2.5132 |
| Topological Polar Surface Area | 73.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.09106 |
| Heavy Atoms | 26 |
| Complexity | 728.4269 |
Chemical Identifiers
| CAS Number | 1024151-62-9 |
|---|---|
| SMILES | C1CN(CCN(C1)C(=O)C2CC2C(=O)O)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid (CAS 1024151-62-9), with molecular formula C16H17ClF3N3O3 and molecular weight 391.09 g/mol. IUPAC: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]cyclopropane-1-carboxylic acid.
Chemical Property Profile of 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid
Property Insights of 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid
The XLogP value of 2.5132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid. The TPSA of 73.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid. Following Lipinski's Rule of Five, 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic 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 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid?
The CAS number of 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid is 1024151-62-9.
What is the molecular formula of 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid?
The molecular formula of 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid is C16H17ClF3N3O3.
What is the molecular weight of 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid?
The molecular weight of 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid is 391.09 g/mol.
Where can I buy 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid?
You can request a quote for 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(3-chloro-5-(trifluoromethyl)-2-pyridyl)-1,4-diazaperhydroepinyl)carbonyl)cyclopropanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.