4-羟基-3-甲氧基苯乙腈
TL;DR: 4-羟基-3-甲氧基苯乙腈 (CAS 4468-59-1) 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.
4-羟基-3-甲氧基苯乙腈
2-(4-hydroxy-3-methoxyphenyl)acetonitrile
Also Known As: 4-Hydroxy-3-methoxyphenylacetonitrile, 2-(4-hydroxy-3-methoxyphenyl)acetonitrile, Homovanillonitrile, Dopamine Impurity 55, (4-hydroxy-3-methoxyphenyl)acetonitrile
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 4468-59-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC#N)O |
| InChIKey | SDVYWMWQCJEYTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基-3-甲氧基苯乙腈 (CAS 4468-59-1), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 2-(4-hydroxy-3-methoxyphenyl)acetonitrile.
Chemical Property Profile of 4-羟基-3-甲氧基苯乙腈
Property Insights of 4-羟基-3-甲氧基苯乙腈
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基-3-甲氧基苯乙腈. With a topological polar surface area (TPSA) of 53.3 Ų, 4-羟基-3-甲氧基苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基-3-甲氧基苯乙腈 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 4-羟基-3-甲氧基苯乙腈?
The CAS number of 4-羟基-3-甲氧基苯乙腈 is 4468-59-1.
What is the molecular formula of 4-羟基-3-甲氧基苯乙腈?
The molecular formula of 4-羟基-3-甲氧基苯乙腈 is C9H9NO2.
What is the molecular weight of 4-羟基-3-甲氧基苯乙腈?
The molecular weight of 4-羟基-3-甲氧基苯乙腈 is 163.06 g/mol.
Where can I buy 4-羟基-3-甲氧基苯乙腈?
You can request a quote for 4-羟基-3-甲氧基苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基-3-甲氧基苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-3-甲氧基苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.