BAS 01816412
TL;DR: BAS 01816412 (CAS 332910-69-7) is a chemical compound with molecular formula C28H31N3O2S and molecular weight 473.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile
Also Known As: BAS 01816412, 4-(3,4-Dimethoxyphenyl)-2-((2-(piperidin-1-yl)ethyl)thio)-6-(p-tolyl)nicotinonitrile, 4-(3,4-Dimethoxy-phenyl)-2-(2-piperidin-1-yl-ethylsulfanyl)-6-p-tolyl-nicotinonitrile, 4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile, 4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-(2-piperidylethylthio)pyridine-3- carbonitrile
| Molecular Formula | C28H31N3O2S |
|---|---|
| Molecular Weight | 473.21 g/mol |
| LogP | 6.1909 |
| Topological Polar Surface Area | 58.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.21368 |
| Heavy Atoms | 34 |
| Complexity | 1165.5042 |
Chemical Identifiers
| CAS Number | 332910-69-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C=C3)OC)OC)C#N)SCCN4CCCCC4 |
Product Overview
BAS 01816412 (CAS 332910-69-7), with molecular formula C28H31N3O2S and molecular weight 473.21 g/mol. IUPAC: 4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile.
Chemical Property Profile of BAS 01816412
Property Insights of BAS 01816412
The XLogP value of 6.1909 indicates that BAS 01816412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.38 Ų, BAS 01816412 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01816412 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01816412?
The CAS number of BAS 01816412 is 332910-69-7.
What is the molecular formula of BAS 01816412?
The molecular formula of BAS 01816412 is C28H31N3O2S.
What is the molecular weight of BAS 01816412?
The molecular weight of BAS 01816412 is 473.21 g/mol.
Where can I buy BAS 01816412?
You can request a quote for BAS 01816412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01816412?
Yes, KEHONG BIO provides custom synthesis services for BAS 01816412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.