![4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole structure](/static/products/6180/618062-85-4.webp)
4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole
TL;DR: 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole (CAS 618062-85-4) is a chemical compound with molecular formula C21H22N2O2S2 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole
Also Known As: 4-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole, 1-{[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane, AF-399/41895782, {[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azaperhydroepine
| Molecular Formula | C21H22N2O2S2 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 5.0418 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.11227 |
| Heavy Atoms | 27 |
| Complexity | 988.1756 |
Chemical Identifiers
| CAS Number | 618062-85-4 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)C4=CC=CC=C4 |
Product Overview
4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole (CAS 618062-85-4), with molecular formula C21H22N2O2S2 and molecular weight 398.11 g/mol. IUPAC: 4-[4-(azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole.
Chemical Property Profile of 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole
Property Insights of 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole
The XLogP value of 5.0418 indicates that 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.27 Ų, 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole 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 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole?
The CAS number of 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole is 618062-85-4.
What is the molecular formula of 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole?
The molecular formula of 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole is C21H22N2O2S2.
What is the molecular weight of 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole?
The molecular weight of 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole is 398.11 g/mol.
Where can I buy 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole?
You can request a quote for 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(Azepan-1-ylsulfonyl)phenyl]-2-phenyl-1,3-thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.