![1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane structure](/static/products/6188/618862-98-9.webp)
1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane
TL;DR: 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane (CAS 618862-98-9) is a chemical compound with molecular formula C22H23FN2O3S and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(azepan-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
Also Known As: 5-(azepan-1-yl)-2-(2-fluorophenyl)-4-tosyloxazole, 1-{2-(2-fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane, 1-[2-(2-FLUOROPHENYL)-4-(4-METHYLBENZENESULFONYL)-1,3-OXAZOL-5-YL]AZEPANE, F1460-0243, A3445/0146272
| Molecular Formula | C22H23FN2O3S |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 5.00232 |
| Topological Polar Surface Area | 63.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.14133 |
| Heavy Atoms | 29 |
| Complexity | 1099.341 |
Chemical Identifiers
| CAS Number | 618862-98-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3F)N4CCCCCC4 |
Product Overview
1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane (CAS 618862-98-9), with molecular formula C22H23FN2O3S and molecular weight 414.14 g/mol. IUPAC: 5-(azepan-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole.
Chemical Property Profile of 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane
Property Insights of 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane
The XLogP value of 5.00232 indicates that 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane. Following Lipinski's Rule of Five, 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane?
The CAS number of 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane is 618862-98-9.
What is the molecular formula of 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane?
The molecular formula of 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane is C22H23FN2O3S.
What is the molecular weight of 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane?
The molecular weight of 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane is 414.14 g/mol.
Where can I buy 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane?
You can request a quote for 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-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-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-(2-Fluorophenyl)-4-[(4-methylphenyl)sulfonyl]-1,3-oxazol-5-yl}azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.