BAS 00754439
TL;DR: BAS 00754439 (CAS 425651-87-2) is a chemical compound with molecular formula C23H23ClN2O3S2 and molecular weight 474.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
Also Known As: BAS 00754439, 2-[(4-chlorophenyl)(phenylsulfonyl)amino]-N-{2-[(4-methylphenyl)sulfanyl]ethyl}acetamide, 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide, 2-[(4-chlorophenyl)(phenylsulfonyl)amino]-N-[2-(4-methylphenylthio)ethyl]aceta mide
| Molecular Formula | C23H23ClN2O3S2 |
|---|---|
| Molecular Weight | 474.08 g/mol |
| LogP | 4.75222 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.08386 |
| Heavy Atoms | 31 |
| Complexity | 1103.8232 |
Chemical Identifiers
| CAS Number | 425651-87-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
BAS 00754439 (CAS 425651-87-2), with molecular formula C23H23ClN2O3S2 and molecular weight 474.08 g/mol. IUPAC: 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
Chemical Property Profile of BAS 00754439
Property Insights of BAS 00754439
The XLogP value of 4.75222 indicates that BAS 00754439 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00754439. Following Lipinski's Rule of Five, BAS 00754439 has 1 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 BAS 00754439?
The CAS number of BAS 00754439 is 425651-87-2.
What is the molecular formula of BAS 00754439?
The molecular formula of BAS 00754439 is C23H23ClN2O3S2.
What is the molecular weight of BAS 00754439?
The molecular weight of BAS 00754439 is 474.08 g/mol.
Where can I buy BAS 00754439?
You can request a quote for BAS 00754439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00754439?
Yes, KEHONG BIO provides custom synthesis services for BAS 00754439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.