BAS 03189180
TL;DR: BAS 03189180 (CAS 332057-54-2) is a chemical compound with molecular formula C20H18N2OS and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methoxymethyl)-6-methyl-2-(naphthalen-1-ylmethylsulfanyl)pyridine-3-carbonitrile
Also Known As: BAS 03189180, 4-(methoxymethyl)-6-methyl-2-[(naphthalen-1-ylmethyl)sulfanyl]pyridine-3-carbonitrile, 4-(methoxymethyl)-6-methyl-2-((naphthalen-1-ylmethyl)thio)nicotinonitrile, 4-(methoxymethyl)-6-methyl-2-[(1-naphthylmethyl)sulfanyl]nicotinonitrile, 4-Methoxymethyl-6-methyl-2-(naphthalen-1-ylmethylsulfanyl)-nicotinonitrile
| Molecular Formula | C20H18N2OS |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.11398 |
| Heavy Atoms | 24 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 332057-54-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC2=CC=CC3=CC=CC=C32)C#N)COC |
| InChIKey | DJHKULMVPHUPON-UHFFFAOYSA-N |
Product Overview
BAS 03189180 (CAS 332057-54-2), with molecular formula C20H18N2OS and molecular weight 334.11 g/mol. IUPAC: 4-(methoxymethyl)-6-methyl-2-(naphthalen-1-ylmethylsulfanyl)pyridine-3-carbonitrile.
Chemical Property Profile of BAS 03189180
Property Insights of BAS 03189180
The XLogP value of 4.2 indicates that BAS 03189180 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03189180. Following Lipinski's Rule of Five, BAS 03189180 has 0 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 03189180?
The CAS number of BAS 03189180 is 332057-54-2.
What is the molecular formula of BAS 03189180?
The molecular formula of BAS 03189180 is C20H18N2OS.
What is the molecular weight of BAS 03189180?
The molecular weight of BAS 03189180 is 334.11 g/mol.
Where can I buy BAS 03189180?
You can request a quote for BAS 03189180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03189180?
Yes, KEHONG BIO provides custom synthesis services for BAS 03189180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.