2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile
TL;DR: 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile (CAS 73168-74-8) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile
Also Known As: 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile, Hydroxy(3-hydroxy-4-methoxyphenyl)acetonitrile, 2-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)acetonitrile, HYDROXY-(3-HYDROXY-4-METHOXY-PHENYL)-ACETONITRILE
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 73168-74-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C#N)O)O |
| InChIKey | LBYKSAUDCXUPDJ-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile (CAS 73168-74-8), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile.
Chemical Property Profile of 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile
Property Insights of 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile. Following Lipinski's Rule of Five, 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile 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-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile?
The CAS number of 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile is 73168-74-8.
What is the molecular formula of 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile?
The molecular formula of 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile is C9H9NO3.
What is the molecular weight of 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile?
The molecular weight of 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile is 179.06 g/mol.
Where can I buy 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile?
You can request a quote for 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.