BAS 00865605
TL;DR: BAS 00865605 (CAS 330181-73-2) is a chemical compound with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: BAS 00865605, 4-(4-ethoxyphenyl)-2-(ethylthio)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4-(4-ethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, AB00667083-01, F0192-0186
| Molecular Formula | C16H18N2O2S |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | 3.17708 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1089 |
| Heavy Atoms | 21 |
| Complexity | 587.2897 |
Chemical Identifiers
| CAS Number | 330181-73-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC |
Product Overview
BAS 00865605 (CAS 330181-73-2), with molecular formula C16H18N2O2S and molecular weight 302.11 g/mol. IUPAC: 4-(4-ethoxyphenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of BAS 00865605
Property Insights of BAS 00865605
The XLogP value of 3.17708 indicates that BAS 00865605 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 00865605. Following Lipinski's Rule of Five, BAS 00865605 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 00865605?
The CAS number of BAS 00865605 is 330181-73-2.
What is the molecular formula of BAS 00865605?
The molecular formula of BAS 00865605 is C16H18N2O2S.
What is the molecular weight of BAS 00865605?
The molecular weight of BAS 00865605 is 302.11 g/mol.
Where can I buy BAS 00865605?
You can request a quote for BAS 00865605 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865605?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.