BAS 00754493
TL;DR: BAS 00754493 (CAS 312291-08-0) is a chemical compound with molecular formula C22H22ClN3O4S and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
Also Known As: BAS 00754493, BIM-0012216.P001, AB01279745-01, A1815/0076776, 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
| Molecular Formula | C22H22ClN3O4S |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 3.56372 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.10196 |
| Heavy Atoms | 31 |
| Complexity | 1153.1333 |
Chemical Identifiers
| CAS Number | 312291-08-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=NC=C2)C3=C(C=CC(=C3)Cl)OC |
Product Overview
BAS 00754493 (CAS 312291-08-0), with molecular formula C22H22ClN3O4S and molecular weight 459.10 g/mol. IUPAC: 2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide.
Chemical Property Profile of BAS 00754493
Property Insights of BAS 00754493
The XLogP value of 3.56372 indicates that BAS 00754493 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00754493. Following Lipinski's Rule of Five, BAS 00754493 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 00754493?
The CAS number of BAS 00754493 is 312291-08-0.
What is the molecular formula of BAS 00754493?
The molecular formula of BAS 00754493 is C22H22ClN3O4S.
What is the molecular weight of BAS 00754493?
The molecular weight of BAS 00754493 is 459.10 g/mol.
Where can I buy BAS 00754493?
You can request a quote for BAS 00754493 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00754493?
Yes, KEHONG BIO provides custom synthesis services for BAS 00754493 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.