![1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane structure](/static/products/1024/1024482-77-6.webp)
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane
TL;DR: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane (CAS 1024482-77-6) is a chemical compound with molecular formula C21H19ClF3N3O2S and molecular weight 469.08 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-naphthalen-2-ylsulfonyl-1,4-diazepane
Also Known As: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-naphthylsulfonyl)-1,4-diazepane, 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-naphthylsulfonyl)-1,4-diazepane, 4-(3-Chloro-5-(trifluoromethyl)(2-pyridyl))-1-(2-naphthylsulfonyl)-1,4-diazaperhydroepine
| Molecular Formula | C21H19ClF3N3O2S |
|---|---|
| Molecular Weight | 469.08 g/mol |
| LogP | 4.808 |
| Topological Polar Surface Area | 53.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 469.08386 |
| Heavy Atoms | 31 |
| Complexity | 1217.9607 |
Chemical Identifiers
| CAS Number | 1024482-77-6 |
|---|---|
| SMILES | C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane (CAS 1024482-77-6), with molecular formula C21H19ClF3N3O2S and molecular weight 469.08 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-naphthalen-2-ylsulfonyl-1,4-diazepane.
Chemical Property Profile of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane
Property Insights of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane
The XLogP value of 4.808 indicates that 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-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-(naphthalene-2-sulfonyl)-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-(naphthalene-2-sulfonyl)-1,4-diazepane has 0 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 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane?
The CAS number of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane is 1024482-77-6.
What is the molecular formula of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane?
The molecular formula of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane is C21H19ClF3N3O2S.
What is the molecular weight of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane?
The molecular weight of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane is 469.08 g/mol.
Where can I buy 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane?
You can request a quote for 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-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-(naphthalene-2-sulfonyl)-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(naphthalene-2-sulfonyl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.