3,4-二甲氧基苯乙腈
TL;DR: 3,4-二甲氧基苯乙腈 (CAS 93-17-4) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二甲氧基苯乙腈
2-(3,4-dimethoxyphenyl)acetonitrile
Also Known As: 3,4-Dimethoxyphenylacetonitrile, Homoveratronitrile, (3,4-Dimethoxyphenyl)acetonitrile, Veratryl cyanide, 3,4-Dimethoxybenzyl cyanide
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 93-17-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC#N)OC |
| InChIKey | ASLSUMISAQDOOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二甲氧基苯乙腈 (CAS 93-17-4), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)acetonitrile.
Chemical Property Profile of 3,4-二甲氧基苯乙腈
Property Insights of 3,4-二甲氧基苯乙腈
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二甲氧基苯乙腈. With a topological polar surface area (TPSA) of 42.3 Ų, 3,4-二甲氧基苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二甲氧基苯乙腈 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 3,4-二甲氧基苯乙腈?
The CAS number of 3,4-二甲氧基苯乙腈 is 93-17-4.
What is the molecular formula of 3,4-二甲氧基苯乙腈?
The molecular formula of 3,4-二甲氧基苯乙腈 is C10H11NO2.
What is the molecular weight of 3,4-二甲氧基苯乙腈?
The molecular weight of 3,4-二甲氧基苯乙腈 is 177.08 g/mol.
Where can I buy 3,4-二甲氧基苯乙腈?
You can request a quote for 3,4-二甲氧基苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二甲氧基苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二甲氧基苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.