3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile
TL;DR: 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile (CAS 52899-60-2) is a chemical compound with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-6-methoxybenzene-1,2-dicarbonitrile
Also Known As: 3-hydroxy-6-methoxybenzene-1,2-dicarbonitrile, NCI60_005537, 6-hydroxy-3-methoxybenzene-1,2-dicarbonitrile, 3-hydroxy-6-methoxy-1,2-Benzenedicarbonitrile, 1,2-Benzenedicarbonitrile, 3-hydroxy-6-methoxy-
| Molecular Formula | C9H6N2O2 |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.04292 |
| Heavy Atoms | 13 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 52899-60-2 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)O)C#N)C#N |
| InChIKey | DEDIVRYSGQHFIA-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile (CAS 52899-60-2), with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol. IUPAC: 3-hydroxy-6-methoxybenzene-1,2-dicarbonitrile.
Chemical Property Profile of 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile
Property Insights of 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile has 1 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 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile?
The CAS number of 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile is 52899-60-2.
What is the molecular formula of 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile?
The molecular formula of 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile is C9H6N2O2.
What is the molecular weight of 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile?
The molecular weight of 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile is 174.04 g/mol.
Where can I buy 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile?
You can request a quote for 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-6-methoxybenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.