BAS 01107880
TL;DR: BAS 01107880 (CAS 311333-41-2) is a chemical compound with molecular formula C29H24N2O4S and molecular weight 496.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
Also Known As: BAS 01107880, A1170/0054439, 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile, 2-((2-(3,4-dimethoxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile, 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio}-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
| Molecular Formula | C29H24N2O4S |
|---|---|
| Molecular Weight | 496.15 g/mol |
| LogP | 6.28808 |
| Topological Polar Surface Area | 81.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.1457 |
| Heavy Atoms | 36 |
| Complexity | 1414.1357 |
Chemical Identifiers
| CAS Number | 311333-41-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4 |
Product Overview
BAS 01107880 (CAS 311333-41-2), with molecular formula C29H24N2O4S and molecular weight 496.15 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of BAS 01107880
Property Insights of BAS 01107880
The XLogP value of 6.28808 indicates that BAS 01107880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01107880. Following Lipinski's Rule of Five, BAS 01107880 has 0 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 01107880?
The CAS number of BAS 01107880 is 311333-41-2.
What is the molecular formula of BAS 01107880?
The molecular formula of BAS 01107880 is C29H24N2O4S.
What is the molecular weight of BAS 01107880?
The molecular weight of BAS 01107880 is 496.15 g/mol.
Where can I buy BAS 01107880?
You can request a quote for BAS 01107880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107880?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.