![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 172.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-hydroxyphenyl)methyl]propanedinitrile
Also Known As: tyrphostin 63, Tyrphostin A63, Tyrphostin A-63, (4-hydroxybenzyl)propanedinitrile, 2-[(4-hydroxyphenyl)methyl]propanedinitrile
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.06366 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.06366 Da |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
| SMILES | C1=CC(=CC=C1CC(C#N)C#N)O |
| InChIKey | PDRLQWJJFLVIRC-UHFFFAOYSA-N |
Product Description
Applications: 2-[(4-Hydroxyphenyl)methyl]propanedinitrile is used in agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-[(4-Hydroxyphenyl)methyl]propanedinitrile (CAS 5553-97-9) is a agrochemical intermediate with the molecular formula C10H8N2O and a molecular weight of 172.06 g/mol. Synonyms include tyrphostin 63 and Tyrphostin A63.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 172.06366 g/mol.
What are the applications of 2-[(4-Hydroxyphenyl)methyl]propanedinitrile?
2-[(4-Hydroxyphenyl)methyl]propanedinitrile is used in agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with...
Where can I buy 2-[(4-Hydroxyphenyl)methyl]propanedinitrile?
You can request a quote for 2-[(4-Hydroxyphenyl)methyl]propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(4-Hydroxyphenyl)methyl]propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(4-Hydroxyphenyl)methyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.