BAS 00754532
TL;DR: BAS 00754532 (CAS 331639-20-4) is a chemical compound with molecular formula C23H25N3O3S2 and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
Also Known As: BAS 00754532, 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide, N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]-N-[2-(pyridin-2-ylsulfanyl)ethyl]glycinamide
| Molecular Formula | C23H25N3O3S2 |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 3.80224 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.13373 |
| Heavy Atoms | 31 |
| Complexity | 1101.0684 |
Chemical Identifiers
| CAS Number | 331639-20-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CC(=O)NCCSC2=CC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
BAS 00754532 (CAS 331639-20-4), with molecular formula C23H25N3O3S2 and molecular weight 455.13 g/mol. IUPAC: 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide.
Chemical Property Profile of BAS 00754532
Property Insights of BAS 00754532
The XLogP value of 3.80224 indicates that BAS 00754532 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00754532. Following Lipinski's Rule of Five, BAS 00754532 has 1 hydrogen bond donor(s) and 5 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 00754532?
The CAS number of BAS 00754532 is 331639-20-4.
What is the molecular formula of BAS 00754532?
The molecular formula of BAS 00754532 is C23H25N3O3S2.
What is the molecular weight of BAS 00754532?
The molecular weight of BAS 00754532 is 455.13 g/mol.
Where can I buy BAS 00754532?
You can request a quote for BAS 00754532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00754532?
Yes, KEHONG BIO provides custom synthesis services for BAS 00754532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.