![2-[(4-Hydroxyphenyl)methyl]propanedinitrile structure](/static/products/5553/5553-97-9.webp)
2-[(4-Hydroxyphenyl)methyl]propanedinitrile
TL;DR: 2-[(4-Hydroxyphenyl)methyl]propanedinitrile (CAS 5553-97-9) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-hydroxyphenyl)methyl]propanedinitrile
Also Known As: tyrphostin 63, Tyrphostin A63, Tyrphostin A-63, (4-hydroxybenzyl)propanedinitrile, 2-[(4-hydroxyphenyl)methyl]propanedinitrile
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 5553-97-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C#N)C#N)O |
| InChIKey | PDRLQWJJFLVIRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-Hydroxyphenyl)methyl]propanedinitrile (CAS 5553-97-9), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: 2-[(4-hydroxyphenyl)methyl]propanedinitrile.
Chemical Property Profile of 2-[(4-Hydroxyphenyl)methyl]propanedinitrile
Property Insights of 2-[(4-Hydroxyphenyl)methyl]propanedinitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Hydroxyphenyl)methyl]propanedinitrile. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Hydroxyphenyl)methyl]propanedinitrile. Following Lipinski's Rule of Five, 2-[(4-Hydroxyphenyl)methyl]propanedinitrile 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 2-[(4-Hydroxyphenyl)methyl]propanedinitrile?
The CAS number of 2-[(4-Hydroxyphenyl)methyl]propanedinitrile is 5553-97-9.
What is the molecular formula of 2-[(4-Hydroxyphenyl)methyl]propanedinitrile?
The molecular formula of 2-[(4-Hydroxyphenyl)methyl]propanedinitrile is C10H8N2O.
What is the molecular weight of 2-[(4-Hydroxyphenyl)methyl]propanedinitrile?
The molecular weight of 2-[(4-Hydroxyphenyl)methyl]propanedinitrile is 172.06 g/mol.
Where can I buy 2-[(4-Hydroxyphenyl)methyl]propanedinitrile?
You can request a quote for 2-[(4-Hydroxyphenyl)methyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Hydroxyphenyl)methyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Hydroxyphenyl)methyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.