3,5-Dihydroxybenzonitrile
TL;DR: 3,5-Dihydroxybenzonitrile (CAS 19179-36-3) is a chemical compound with molecular formula C7H5NO2 and molecular weight 135.03203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dihydroxybenzonitrile
Also Known As: 3,5-Dihydroxybenzonitrile, null, 5-cyanoresorcinol, Benzonitrile, 3,5-dihydroxy-, a-Resorcylonitrile
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NO2 |
| Molecular Weight | 135.03203 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.03203 Da |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
| SMILES | C1=C(C=C(C=C1O)O)C#N |
| InChIKey | ABHOEQJNEOMTEK-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dihydroxybenzonitrile
Property Insights of 3,5-Dihydroxybenzonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dihydroxybenzonitrile. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dihydroxybenzonitrile. Following Lipinski's Rule of Five, 3,5-Dihydroxybenzonitrile 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
What is the CAS number of 3,5-Dihydroxybenzonitrile?
The CAS number of 3,5-Dihydroxybenzonitrile is 19179-36-3.
What is the molecular formula of 3,5-Dihydroxybenzonitrile?
The molecular formula of 3,5-Dihydroxybenzonitrile is C7H5NO2.
What is the molecular weight of 3,5-Dihydroxybenzonitrile?
The molecular weight of 3,5-Dihydroxybenzonitrile is 135.03203 g/mol.
Where can I buy 3,5-Dihydroxybenzonitrile?
You can request a quote for 3,5-Dihydroxybenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dihydroxybenzonitrile?
Yes, CoreyChem provides custom synthesis services for 3,5-Dihydroxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.