methylidene}propanedinitrile structure](/static/products/625/625368-61-8.png)
{[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile
TL;DR: {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile (CAS 625368-61-8) is a chemical compound with molecular formula C18H15N3OS and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[anilino-[(3-methoxyphenyl)methylsulfanyl]methylidene]propanedinitrile
Also Known As: 2-(((3-methoxybenzyl)thio)(phenylamino)methylene)malononitrile, {[(3-methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile, 2-[anilino-[(3-methoxyphenyl)methylsulfanyl]methylidene]propanedinitrile, {[(3-methoxyphenyl)methylthio](phenylamino)methylene}methane-1,1-dicarbonitril e
| Molecular Formula | C18H15N3OS |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 4.29926 |
| Topological Polar Surface Area | 68.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.0936 |
| Heavy Atoms | 23 |
| Complexity | 756.844 |
Chemical Identifiers
| CAS Number | 625368-61-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC(=C(C#N)C#N)NC2=CC=CC=C2 |
Product Overview
{[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile (CAS 625368-61-8), with molecular formula C18H15N3OS and molecular weight 321.09 g/mol. IUPAC: 2-[anilino-[(3-methoxyphenyl)methylsulfanyl]methylidene]propanedinitrile.
Chemical Property Profile of {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile
Property Insights of {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile
The XLogP value of 4.29926 indicates that {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.84 Ų falls within the moderate polarity range, balancing permeability and solubility for {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile. Following Lipinski's Rule of Five, {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile has 1 hydrogen bond donor(s) and 5 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 {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile?
The CAS number of {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile is 625368-61-8.
What is the molecular formula of {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile?
The molecular formula of {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile is C18H15N3OS.
What is the molecular weight of {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile?
The molecular weight of {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile is 321.09 g/mol.
Where can I buy {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile?
You can request a quote for {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for {[(3-Methoxybenzyl)sulfanyl](phenylamino)methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.