4-Methoxyisophthalonitrile
TL;DR: 4-Methoxyisophthalonitrile (CAS 22433-92-7) is a chemical compound with molecular formula C9H6N2O and molecular weight 158.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxybenzene-1,2-dicarbonitrile
Also Known As: 4-METHOXYPHTHALONITRILE, 4-Methoxyisophthalonitrile, 4-Methoxy-phthalonitrile, 4-methoxybenzene-1,2-dicarbonitrile, 1,2-Benzenedicarbonitrile, 4-methoxy-
| Molecular Formula | C9H6N2O |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | 1.43856 |
| Topological Polar Surface Area | 56.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.04802 |
| Heavy Atoms | 12 |
| Complexity | 371.09543 |
Chemical Identifiers
| CAS Number | 22433-92-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C#N)C#N |
Product Overview
4-Methoxyisophthalonitrile (CAS 22433-92-7), with molecular formula C9H6N2O and molecular weight 158.05 g/mol. IUPAC: 4-methoxybenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-Methoxyisophthalonitrile
Property Insights of 4-Methoxyisophthalonitrile
The XLogP value of 1.43856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxyisophthalonitrile. With a topological polar surface area (TPSA) of 56.81 Ų, 4-Methoxyisophthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxyisophthalonitrile has 0 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 4-Methoxyisophthalonitrile?
The CAS number of 4-Methoxyisophthalonitrile is 22433-92-7.
What is the molecular formula of 4-Methoxyisophthalonitrile?
The molecular formula of 4-Methoxyisophthalonitrile is C9H6N2O.
What is the molecular weight of 4-Methoxyisophthalonitrile?
The molecular weight of 4-Methoxyisophthalonitrile is 158.05 g/mol.
Where can I buy 4-Methoxyisophthalonitrile?
You can request a quote for 4-Methoxyisophthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxyisophthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxyisophthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.