(3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
TL;DR: (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone (CAS 690247-77-9) is a chemical compound with molecular formula C24H30FN3O3S and molecular weight 459.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
Also Known As: (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone, F1651-0143, 1-{5-[4-(2-FLUOROPHENYL)PIPERAZINE-1-CARBONYL]-2-METHYLBENZENESULFONYL}AZEPANE, [3-(azepan-1-ylsulfonyl)-4-methylphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone, [3-(azepan-1-ylsulfonyl)-4-methylphenyl][4-(2-fluorophenyl)piperazin-1-yl]methanone
| Molecular Formula | C24H30FN3O3S |
|---|---|
| Molecular Weight | 459.20 g/mol |
| LogP | 3.66122 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.1992 |
| Heavy Atoms | 32 |
| Complexity | 1073.6471 |
Chemical Identifiers
| CAS Number | 690247-77-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)N4CCCCCC4 |
Product Overview
(3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone (CAS 690247-77-9), with molecular formula C24H30FN3O3S and molecular weight 459.20 g/mol. IUPAC: [3-(azepan-1-ylsulfonyl)-4-methylphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
Property Insights of (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
The XLogP value of 3.66122 indicates that (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone. Following Lipinski's Rule of Five, (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone 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 (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone?
The CAS number of (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone is 690247-77-9.
What is the molecular formula of (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone?
The molecular formula of (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone is C24H30FN3O3S.
What is the molecular weight of (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone?
The molecular weight of (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone is 459.20 g/mol.
Where can I buy (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone?
You can request a quote for (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.