2-Hydroxy-3-methoxy-5-methylbenzonitrile
TL;DR: 2-Hydroxy-3-methoxy-5-methylbenzonitrile (CAS 85077-79-8) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-methoxy-5-methylbenzonitrile
Also Known As: 2-hydroxy-3-methoxy-5-methylbenzonitrile, 2-hydroxy-3-methoxy-5-methyl-benzonitrile, Benzonitrile,2-hydroxy-3-methoxy-5-methyl-
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 85077-79-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)OC)O)C#N |
| InChIKey | TXYWKRZGZRSQLC-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-3-methoxy-5-methylbenzonitrile (CAS 85077-79-8), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 2-hydroxy-3-methoxy-5-methylbenzonitrile.
Chemical Property Profile of 2-Hydroxy-3-methoxy-5-methylbenzonitrile
Property Insights of 2-Hydroxy-3-methoxy-5-methylbenzonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-3-methoxy-5-methylbenzonitrile. With a topological polar surface area (TPSA) of 53.3 Ų, 2-Hydroxy-3-methoxy-5-methylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-3-methoxy-5-methylbenzonitrile 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-Hydroxy-3-methoxy-5-methylbenzonitrile?
The CAS number of 2-Hydroxy-3-methoxy-5-methylbenzonitrile is 85077-79-8.
What is the molecular formula of 2-Hydroxy-3-methoxy-5-methylbenzonitrile?
The molecular formula of 2-Hydroxy-3-methoxy-5-methylbenzonitrile is C9H9NO2.
What is the molecular weight of 2-Hydroxy-3-methoxy-5-methylbenzonitrile?
The molecular weight of 2-Hydroxy-3-methoxy-5-methylbenzonitrile is 163.06 g/mol.
Where can I buy 2-Hydroxy-3-methoxy-5-methylbenzonitrile?
You can request a quote for 2-Hydroxy-3-methoxy-5-methylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-3-methoxy-5-methylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-3-methoxy-5-methylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.