![4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile structure](/static/products/3391/339103-68-3.webp)
4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile
TL;DR: 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile (CAS 339103-68-3) is a chemical compound with molecular formula C20H15ClN2OS and molecular weight 366.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]pyridine-3-carbonitrile
Also Known As: Bionet1_003028, 4-(4-chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile, 8M-559S, 4-(4-chlorophenyl)-2-{[(4-methoxyphenyl)methyl]sulfanyl}pyridine-3-carbonitrile, 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]pyridine-3-carbonitrile
| Molecular Formula | C20H15ClN2OS |
|---|---|
| Molecular Weight | 366.06 g/mol |
| LogP | 5.57458 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.05936 |
| Heavy Atoms | 25 |
| Complexity | 902.4744 |
Chemical Identifiers
| CAS Number | 339103-68-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NC=CC(=C2C#N)C3=CC=C(C=C3)Cl |
Product Overview
4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile (CAS 339103-68-3), with molecular formula C20H15ClN2OS and molecular weight 366.06 g/mol. IUPAC: 4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylsulfanyl]pyridine-3-carbonitrile.
Chemical Property Profile of 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile
Property Insights of 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile
The XLogP value of 5.57458 indicates that 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile?
The CAS number of 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile is 339103-68-3.
What is the molecular formula of 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile?
The molecular formula of 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile is C20H15ClN2OS.
What is the molecular weight of 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile?
The molecular weight of 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile is 366.06 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile?
You can request a quote for 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.