![4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide structure](/static/products/1024/1024197-18-9.webp)
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide
TL;DR: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide (CAS 1024197-18-9) is a chemical compound with molecular formula C18H16Cl3F3N4O and molecular weight 466.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide
Also Known As: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide, N-(3,4-dichlorophenyl)(4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl))formamide, 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide
| Molecular Formula | C18H16Cl3F3N4O |
|---|---|
| Molecular Weight | 466.03 g/mol |
| LogP | 5.8048 |
| Topological Polar Surface Area | 48.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 466.03418 |
| Heavy Atoms | 29 |
| Complexity | 910.40546 |
Chemical Identifiers
| CAS Number | 1024197-18-9 |
|---|---|
| SMILES | C1CN(CCN(C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide (CAS 1024197-18-9), with molecular formula C18H16Cl3F3N4O and molecular weight 466.03 g/mol. IUPAC: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide.
Chemical Property Profile of 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide
Property Insights of 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide
The XLogP value of 5.8048 indicates that 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.47 Ų, 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide?
The CAS number of 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide is 1024197-18-9.
What is the molecular formula of 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide?
The molecular formula of 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide is C18H16Cl3F3N4O.
What is the molecular weight of 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide?
The molecular weight of 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide is 466.03 g/mol.
Where can I buy 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide?
You can request a quote for 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dichlorophenyl)-1,4-diazepane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.