![compound 1 [PMID: 28611375] structure](/static/products/4262/426221-84-3.webp)
compound 1 [PMID: 28611375]
TL;DR: compound 1 [PMID: 28611375] (CAS 426221-84-3) is a chemical compound with molecular formula C26H28ClN3O3S and molecular weight 497.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chloro-2-methylphenyl)benzenesulfonamide
Also Known As: compound 1 [PMID: 28611375], N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chloro-2-methylphenyl)benzenesulfonamide, N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-chloro-2-methylphenyl)benzenesulfonamide, N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-N-(3-chloro-2-methyl-phenyl)benzenesulfonamide, N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide
| Molecular Formula | C26H28ClN3O3S |
|---|---|
| Molecular Weight | 497.15 g/mol |
| LogP | 4.18812 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.154 |
| Heavy Atoms | 34 |
| Complexity | 1228.6604 |
Chemical Identifiers
| CAS Number | 426221-84-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
compound 1 [PMID: 28611375] (CAS 426221-84-3), with molecular formula C26H28ClN3O3S and molecular weight 497.15 g/mol. IUPAC: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(3-chloro-2-methylphenyl)benzenesulfonamide.
Chemical Property Profile of compound 1 [PMID: 28611375]
Property Insights of compound 1 [PMID: 28611375]
The XLogP value of 4.18812 indicates that compound 1 [PMID: 28611375] 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 compound 1 [PMID: 28611375]. Following Lipinski's Rule of Five, compound 1 [PMID: 28611375] 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 compound 1 [PMID: 28611375]?
The CAS number of compound 1 [PMID: 28611375] is 426221-84-3.
What is the molecular formula of compound 1 [PMID: 28611375]?
The molecular formula of compound 1 [PMID: 28611375] is C26H28ClN3O3S.
What is the molecular weight of compound 1 [PMID: 28611375]?
The molecular weight of compound 1 [PMID: 28611375] is 497.15 g/mol.
Where can I buy compound 1 [PMID: 28611375]?
You can request a quote for compound 1 [PMID: 28611375] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for compound 1 [PMID: 28611375]?
Yes, KEHONG BIO provides custom synthesis services for compound 1 [PMID: 28611375] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.