2-(4-Methoxyphenyl)-2-methylbutanedinitrile
TL;DR: 2-(4-Methoxyphenyl)-2-methylbutanedinitrile (CAS 55755-77-6) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-2-methylbutanedinitrile
Also Known As: 2-(4-methoxyphenyl)-2-methylbutanedinitrile, BIM-0014577.P001, 2-(4-METHOXYPHENYL)-2-METHYLSUCCINONITRILE, 1-(4-methoxyphenyl)-1-methylethane-1,2-dicarbonitrile
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 2.39016 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 410.73364 |
Chemical Identifiers
| CAS Number | 55755-77-6 |
|---|---|
| SMILES | CC(CC#N)(C#N)C1=CC=C(C=C1)OC |
Product Overview
2-(4-Methoxyphenyl)-2-methylbutanedinitrile (CAS 55755-77-6), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 2-(4-methoxyphenyl)-2-methylbutanedinitrile.
Chemical Property Profile of 2-(4-Methoxyphenyl)-2-methylbutanedinitrile
Property Insights of 2-(4-Methoxyphenyl)-2-methylbutanedinitrile
The XLogP value of 2.39016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenyl)-2-methylbutanedinitrile. With a topological polar surface area (TPSA) of 56.81 Ų, 2-(4-Methoxyphenyl)-2-methylbutanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-2-methylbutanedinitrile has 0 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 2-(4-Methoxyphenyl)-2-methylbutanedinitrile?
The CAS number of 2-(4-Methoxyphenyl)-2-methylbutanedinitrile is 55755-77-6.
What is the molecular formula of 2-(4-Methoxyphenyl)-2-methylbutanedinitrile?
The molecular formula of 2-(4-Methoxyphenyl)-2-methylbutanedinitrile is C12H12N2O.
What is the molecular weight of 2-(4-Methoxyphenyl)-2-methylbutanedinitrile?
The molecular weight of 2-(4-Methoxyphenyl)-2-methylbutanedinitrile is 200.09 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-2-methylbutanedinitrile?
You can request a quote for 2-(4-Methoxyphenyl)-2-methylbutanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)-2-methylbutanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-2-methylbutanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.