3-甲氧基苯乙腈
TL;DR: 3-甲氧基苯乙腈 (CAS 19924-43-7) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲氧基苯乙腈
2-(3-methoxyphenyl)acetonitrile
Also Known As: (3-Methoxyphenyl)acetonitrile, 3-Methoxyphenylacetonitrile, 2-(3-methoxyphenyl)acetonitrile, 3-Methoxybenzyl cyanide, (m-Methoxyphenyl)acetonitrile
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 19924-43-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CC#N |
| InChIKey | LXKNAUOWEJWGTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲氧基苯乙腈 (CAS 19924-43-7), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2-(3-methoxyphenyl)acetonitrile.
Chemical Property Profile of 3-甲氧基苯乙腈
Property Insights of 3-甲氧基苯乙腈
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲氧基苯乙腈. With a topological polar surface area (TPSA) of 33.0 Ų, 3-甲氧基苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲氧基苯乙腈 has 0 hydrogen bond donor(s) and 2 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-甲氧基苯乙腈?
The CAS number of 3-甲氧基苯乙腈 is 19924-43-7.
What is the molecular formula of 3-甲氧基苯乙腈?
The molecular formula of 3-甲氧基苯乙腈 is C9H9NO.
What is the molecular weight of 3-甲氧基苯乙腈?
The molecular weight of 3-甲氧基苯乙腈 is 147.07 g/mol.
Where can I buy 3-甲氧基苯乙腈?
You can request a quote for 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 3-甲氧基苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-甲氧基苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.