BAS 00865710
TL;DR: BAS 00865710 (CAS 332046-08-9) is a chemical compound with molecular formula C26H22N2O2S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00865710, F0192-0169, 4-[4-(benzyloxy)phenyl]-2-(benzylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, AE-848/11828088, 4-(4-(benzyloxy)phenyl)-2-(benzylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C26H22N2O2S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 5.53768 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.1402 |
| Heavy Atoms | 31 |
| Complexity | 1103.6537 |
Chemical Identifiers
| CAS Number | 332046-08-9 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4 |
Product Overview
BAS 00865710 (CAS 332046-08-9), with molecular formula C26H22N2O2S and molecular weight 426.14 g/mol. IUPAC: 6-benzylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00865710
Property Insights of BAS 00865710
The XLogP value of 5.53768 indicates that BAS 00865710 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865710. Following Lipinski's Rule of Five, BAS 00865710 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00865710?
The CAS number of BAS 00865710 is 332046-08-9.
What is the molecular formula of BAS 00865710?
The molecular formula of BAS 00865710 is C26H22N2O2S.
What is the molecular weight of BAS 00865710?
The molecular weight of BAS 00865710 is 426.14 g/mol.
Where can I buy BAS 00865710?
You can request a quote for BAS 00865710 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865710?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865710 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.