![1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane structure](/static/products/6909/690987-62-3.webp)
1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane
TL;DR: 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane (CAS 690987-62-3) is a chemical compound with molecular formula C23H26N2O4S3 and molecular weight 490.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(azepan-1-yl)-2,4-bis-(4-methylphenyl)sulfonyl-1,3-thiazole
Also Known As: 1-{2,4-bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane, 1-[2,4-bis(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]azepane, 5-(azepan-1-yl)-2,4-bis-(4-methylphenyl)sulfonyl-1,3-thiazole, 5-azaperhydroepinyl-2,4-bis[(4-methylphenyl)sulfonyl]-1,3-thiazole
| Molecular Formula | C23H26N2O4S3 |
|---|---|
| Molecular Weight | 490.11 g/mol |
| LogP | 4.80594 |
| Topological Polar Surface Area | 84.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.10547 |
| Heavy Atoms | 32 |
| Complexity | 1302.566 |
Chemical Identifiers
| CAS Number | 690987-62-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)S(=O)(=O)C3=CC=C(C=C3)C)N4CCCCCC4 |
Product Overview
1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane (CAS 690987-62-3), with molecular formula C23H26N2O4S3 and molecular weight 490.11 g/mol. IUPAC: 5-(azepan-1-yl)-2,4-bis-(4-methylphenyl)sulfonyl-1,3-thiazole.
Chemical Property Profile of 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane
Property Insights of 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane
The XLogP value of 4.80594 indicates that 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane. Following Lipinski's Rule of Five, 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane has 0 hydrogen bond donor(s) and 7 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-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane?
The CAS number of 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane is 690987-62-3.
What is the molecular formula of 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane?
The molecular formula of 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane is C23H26N2O4S3.
What is the molecular weight of 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane?
The molecular weight of 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane is 490.11 g/mol.
Where can I buy 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane?
You can request a quote for 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-{2,4-Bis[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.