2-(4-Hydroxyphenylamino)-2-methylpropanenitrile
TL;DR: 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile (CAS 26850-26-0) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxyanilino)-2-methylpropanenitrile
Also Known As: 2-((4-hydroxyphenyl)amino)-2-methylpropanenitrile, 2-(4-hydroxyphenylamino)-2-methylpropanenitrile, 2-(4-hydroxyanilino)-2-methylpropanenitrile, 2-[(4-hydroxyphenyl)amino]-2-methylpropanenitrile
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 26850-26-0 |
|---|---|
| SMILES | CC(C)(C#N)NC1=CC=C(C=C1)O |
| InChIKey | MSDNIFRUGJFOGS-UHFFFAOYSA-N |
Product Overview
2-(4-Hydroxyphenylamino)-2-methylpropanenitrile (CAS 26850-26-0), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: 2-(4-hydroxyanilino)-2-methylpropanenitrile.
Chemical Property Profile of 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile
Property Insights of 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile. With a topological polar surface area (TPSA) of 56.1 Ų, 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile has 2 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-Hydroxyphenylamino)-2-methylpropanenitrile?
The CAS number of 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile is 26850-26-0.
What is the molecular formula of 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile?
The molecular formula of 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile is C10H12N2O.
What is the molecular weight of 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile?
The molecular weight of 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile is 176.09 g/mol.
Where can I buy 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile?
You can request a quote for 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Hydroxyphenylamino)-2-methylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.