BAS 01235417
TL;DR: BAS 01235417 (CAS 319491-22-0) is a chemical compound with molecular formula C24H18N2O3S and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trimethyl-2-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethyl]sulfanylpyridine-3-carbonitrile
Also Known As: BAS 01235417, 4,5,6-trimethyl-2-((2-oxo-2-(3-oxo-3H-benzo[f]chromen-2-yl)ethyl)thio)nicotinonitrile, AE-848/32950033, BRD-K95574059-001-01-3, F0421-0053
| Molecular Formula | C24H18N2O3S |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 5.11314 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.10382 |
| Heavy Atoms | 30 |
| Complexity | 1430.8446 |
Chemical Identifiers
| CAS Number | 319491-22-0 |
|---|---|
| SMILES | CC1=C(C(=C(N=C1C)SCC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O)C#N)C |
Product Overview
BAS 01235417 (CAS 319491-22-0), with molecular formula C24H18N2O3S and molecular weight 414.10 g/mol. IUPAC: 4,5,6-trimethyl-2-[2-oxo-2-(3-oxobenzo[f]chromen-2-yl)ethyl]sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of BAS 01235417
Property Insights of BAS 01235417
The XLogP value of 5.11314 indicates that BAS 01235417 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01235417. Following Lipinski's Rule of Five, BAS 01235417 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01235417?
The CAS number of BAS 01235417 is 319491-22-0.
What is the molecular formula of BAS 01235417?
The molecular formula of BAS 01235417 is C24H18N2O3S.
What is the molecular weight of BAS 01235417?
The molecular weight of BAS 01235417 is 414.10 g/mol.
Where can I buy BAS 01235417?
You can request a quote for BAS 01235417 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01235417?
Yes, KEHONG BIO provides custom synthesis services for BAS 01235417 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.