BAS 00865706
TL;DR: BAS 00865706 (CAS 5604-69-3) is a chemical compound with molecular formula C20H18N2O2S and molecular weight 350.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00865706, AB00090256-01, AE-848/11828086, 6-methylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile, 4-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
| Molecular Formula | C20H18N2O2S |
|---|---|
| Molecular Weight | 350.11 g/mol |
| LogP | 3.96728 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.1089 |
| Heavy Atoms | 25 |
| Complexity | 823.0247 |
Chemical Identifiers
| CAS Number | 5604-69-3 |
|---|---|
| SMILES | CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N |
Product Overview
BAS 00865706 (CAS 5604-69-3), with molecular formula C20H18N2O2S and molecular weight 350.11 g/mol. IUPAC: 6-methylsulfanyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00865706
Property Insights of BAS 00865706
The XLogP value of 3.96728 indicates that BAS 00865706 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 00865706. Following Lipinski's Rule of Five, BAS 00865706 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 00865706?
The CAS number of BAS 00865706 is 5604-69-3.
What is the molecular formula of BAS 00865706?
The molecular formula of BAS 00865706 is C20H18N2O2S.
What is the molecular weight of BAS 00865706?
The molecular weight of BAS 00865706 is 350.11 g/mol.
Where can I buy BAS 00865706?
You can request a quote for BAS 00865706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865706?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.