(4-Methoxyphenyl)(2-toluidino)acetonitrile
TL;DR: (4-Methoxyphenyl)(2-toluidino)acetonitrile (CAS 587009-80-1) is a chemical compound with molecular formula C16H16N2O and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-2-(2-methylanilino)acetonitrile
Also Known As: (4-methoxyphenyl)(2-toluidino)acetonitrile, 2-(4-methoxyphenyl)-2-(2-methylanilino)acetonitrile, (4-Methoxy-phenyl)-o-tolylamino-acetonitrile, J2.433.730H, 2-(4-methoxyphenyl)-2-(o-tolylamino)acetonitrile
| Molecular Formula | C16H16N2O |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 3.6804 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.12627 |
| Heavy Atoms | 19 |
| Complexity | 584.44305 |
Chemical Identifiers
| CAS Number | 587009-80-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(C#N)C2=CC=C(C=C2)OC |
Product Overview
(4-Methoxyphenyl)(2-toluidino)acetonitrile (CAS 587009-80-1), with molecular formula C16H16N2O and molecular weight 252.13 g/mol. IUPAC: 2-(4-methoxyphenyl)-2-(2-methylanilino)acetonitrile.
Chemical Property Profile of (4-Methoxyphenyl)(2-toluidino)acetonitrile
Property Insights of (4-Methoxyphenyl)(2-toluidino)acetonitrile
The XLogP value of 3.6804 indicates that (4-Methoxyphenyl)(2-toluidino)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.05 Ų, (4-Methoxyphenyl)(2-toluidino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methoxyphenyl)(2-toluidino)acetonitrile has 1 hydrogen bond donor(s) and 3 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 (4-Methoxyphenyl)(2-toluidino)acetonitrile?
The CAS number of (4-Methoxyphenyl)(2-toluidino)acetonitrile is 587009-80-1.
What is the molecular formula of (4-Methoxyphenyl)(2-toluidino)acetonitrile?
The molecular formula of (4-Methoxyphenyl)(2-toluidino)acetonitrile is C16H16N2O.
What is the molecular weight of (4-Methoxyphenyl)(2-toluidino)acetonitrile?
The molecular weight of (4-Methoxyphenyl)(2-toluidino)acetonitrile is 252.13 g/mol.
Where can I buy (4-Methoxyphenyl)(2-toluidino)acetonitrile?
You can request a quote for (4-Methoxyphenyl)(2-toluidino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methoxyphenyl)(2-toluidino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Methoxyphenyl)(2-toluidino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.