(3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone
TL;DR: (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone (CAS 690247-59-7) is a chemical compound with molecular formula C24H31N3O3S and molecular weight 441.21 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-phenylpiperazin-1-yl)methanone
Also Known As: 1-[2-METHYL-5-(4-PHENYLPIPERAZINE-1-CARBONYL)BENZENESULFONYL]AZEPANE, F1651-0123, (3-(azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone, [3-(azepan-1-ylsulfonyl)-4-methylphenyl]-(4-phenylpiperazin-1-yl)methanone, [3-(azepan-1-ylsulfonyl)-4-methylphenyl](4-phenylpiperazin-1-yl)methanone
| Molecular Formula | C24H31N3O3S |
|---|---|
| Molecular Weight | 441.21 g/mol |
| LogP | 3.52212 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.20862 |
| Heavy Atoms | 31 |
| Complexity | 1007.62 |
Chemical Identifiers
| CAS Number | 690247-59-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4 |
Product Overview
(3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone (CAS 690247-59-7), with molecular formula C24H31N3O3S and molecular weight 441.21 g/mol. IUPAC: [3-(azepan-1-ylsulfonyl)-4-methylphenyl]-(4-phenylpiperazin-1-yl)methanone.
Chemical Property Profile of (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone
Property Insights of (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone
The XLogP value of 3.52212 indicates that (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-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-phenylpiperazin-1-yl)methanone. Following Lipinski's Rule of Five, (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-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-phenylpiperazin-1-yl)methanone?
The CAS number of (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone is 690247-59-7.
What is the molecular formula of (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone?
The molecular formula of (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone is C24H31N3O3S.
What is the molecular weight of (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone?
The molecular weight of (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone is 441.21 g/mol.
Where can I buy (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone?
You can request a quote for (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-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-phenylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-(Azepan-1-ylsulfonyl)-4-methylphenyl)(4-phenylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.