BAS 00866092
TL;DR: BAS 00866092 (CAS 330557-80-7) is a chemical compound with molecular formula C31H31N3O3S2 and molecular weight 557.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00866092, 6-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide, 6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide, 6-((2-(4-butylphenyl)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C31H31N3O3S2 |
|---|---|
| Molecular Weight | 557.18 g/mol |
| LogP | 7.05008 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 557.18066 |
| Heavy Atoms | 39 |
| Complexity | 1434.4622 |
Chemical Identifiers
| CAS Number | 330557-80-7 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CS4)C#N |
Product Overview
BAS 00866092 (CAS 330557-80-7), with molecular formula C31H31N3O3S2 and molecular weight 557.18 g/mol. IUPAC: 6-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00866092
Property Insights of BAS 00866092
The XLogP value of 7.05008 indicates that BAS 00866092 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00866092. Following Lipinski's Rule of Five, BAS 00866092 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00866092?
The CAS number of BAS 00866092 is 330557-80-7.
What is the molecular formula of BAS 00866092?
The molecular formula of BAS 00866092 is C31H31N3O3S2.
What is the molecular weight of BAS 00866092?
The molecular weight of BAS 00866092 is 557.18 g/mol.
Where can I buy BAS 00866092?
You can request a quote for BAS 00866092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00866092?
Yes, KEHONG BIO provides custom synthesis services for BAS 00866092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.