2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
TL;DR: 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile (CAS 6555-27-7) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
Also Known As: 2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile, 2-amino-3-(4-hydroxy-3-methoxy-phenyl)-2-methyl-propanenitrile, (1)-2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropiononitrile, EINECS 229-484-3
| Molecular Formula | C11H14N2O2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.10553 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 6555-27-7 |
|---|---|
| SMILES | CC(CC1=CC(=C(C=C1)O)OC)(C#N)N |
| InChIKey | QTMSVFFNBUCGRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile (CAS 6555-27-7), with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol. IUPAC: 2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile.
Chemical Property Profile of 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
Property Insights of 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile. Following Lipinski's Rule of Five, 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile has 2 hydrogen bond donor(s) and 4 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-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile?
The CAS number of 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile is 6555-27-7.
What is the molecular formula of 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile?
The molecular formula of 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile is C11H14N2O2.
What is the molecular weight of 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile?
The molecular weight of 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile is 206.11 g/mol.
Where can I buy 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile?
You can request a quote for 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-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-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.