![1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane structure](/static/products/6464/646456-06-6.webp)
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane
TL;DR: 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane (CAS 646456-06-6) is a chemical compound with molecular formula C22H27ClF3N3O2S and molecular weight 489.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-pentylphenyl)sulfonyl-1,4-diazepane
Also Known As: 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane, 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-{[4-(pent-1-yl)phenyl]sulphonyl}homopiperazine, 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-4-((4-pentylphenyl)sulfonyl)-1,4-diazepane, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-pentylphenyl)sulfonyl-1,4-diazepane, 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulfonyl]-1,4-diazepane
| Molecular Formula | C22H27ClF3N3O2S |
|---|---|
| Molecular Weight | 489.15 g/mol |
| LogP | 5.3875 |
| Topological Polar Surface Area | 53.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.14645 |
| Heavy Atoms | 32 |
| Complexity | 1014.07135 |
Chemical Identifiers
| CAS Number | 646456-06-6 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane (CAS 646456-06-6), with molecular formula C22H27ClF3N3O2S and molecular weight 489.15 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-pentylphenyl)sulfonyl-1,4-diazepane.
Chemical Property Profile of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane
Property Insights of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane
The XLogP value of 5.3875 indicates that 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.51 Ų, 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane?
The CAS number of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane is 646456-06-6.
What is the molecular formula of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane?
The molecular formula of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane is C22H27ClF3N3O2S.
What is the molecular weight of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane?
The molecular weight of 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane is 489.15 g/mol.
Where can I buy 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane?
You can request a quote for 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(4-pentylphenyl)sulphonyl]-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.