BAS 00866246
TL;DR: BAS 00866246 (CAS 330557-73-8) is a chemical compound with molecular formula C20H18N2O3S and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00866246, BIM-0025719.P001, AB00090339-01, AB00090339-02, 6-benzylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
| Molecular Formula | C20H18N2O3S |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 3.67288 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.10382 |
| Heavy Atoms | 26 |
| Complexity | 887.67444 |
Chemical Identifiers
| CAS Number | 330557-73-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3)O |
Product Overview
BAS 00866246 (CAS 330557-73-8), with molecular formula C20H18N2O3S and molecular weight 366.10 g/mol. IUPAC: 6-benzylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00866246
Property Insights of BAS 00866246
The XLogP value of 3.67288 indicates that BAS 00866246 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00866246. Following Lipinski's Rule of Five, BAS 00866246 has 2 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 00866246?
The CAS number of BAS 00866246 is 330557-73-8.
What is the molecular formula of BAS 00866246?
The molecular formula of BAS 00866246 is C20H18N2O3S.
What is the molecular weight of BAS 00866246?
The molecular weight of BAS 00866246 is 366.10 g/mol.
Where can I buy BAS 00866246?
You can request a quote for BAS 00866246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866246?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.