2-羟基亚苄基丙二腈
TL;DR: 2-羟基亚苄基丙二腈 (CAS 6968-92-9) is a chemical compound with molecular formula C10H6N2O and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟基亚苄基丙二腈
2-[(2-hydroxyphenyl)methylidene]propanedinitrile
Also Known As: Salicylidenemalononitrile, MALONONITRILE, SALICYLIDENE-, 2-Hydroxybenzylidenemalononitrile, NCIOpen2_000306, 2-(2-Hydroxybenzylidene)malononitrile
| Molecular Formula | C10H6N2O |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04802 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 6968-92-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C(C#N)C#N)O |
| InChIKey | FHSXHHWBTYNRBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-羟基亚苄基丙二腈 (CAS 6968-92-9), with molecular formula C10H6N2O and molecular weight 170.05 g/mol. IUPAC: 2-[(2-hydroxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-羟基亚苄基丙二腈
Property Insights of 2-羟基亚苄基丙二腈
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-羟基亚苄基丙二腈. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-羟基亚苄基丙二腈. Following Lipinski's Rule of Five, 2-羟基亚苄基丙二腈 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-羟基亚苄基丙二腈?
The CAS number of 2-羟基亚苄基丙二腈 is 6968-92-9.
What is the molecular formula of 2-羟基亚苄基丙二腈?
The molecular formula of 2-羟基亚苄基丙二腈 is C10H6N2O.
What is the molecular weight of 2-羟基亚苄基丙二腈?
The molecular weight of 2-羟基亚苄基丙二腈 is 170.05 g/mol.
Where can I buy 2-羟基亚苄基丙二腈?
You can request a quote for 2-羟基亚苄基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟基亚苄基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基亚苄基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.