3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile
TL;DR: 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile (CAS 4640-69-1) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-3-oxopropanenitrile
Also Known As: 3,4-Dimethoxybenzoylacetonitrile, 3-(3,4-dimethoxyphenyl)-3-oxopropanenitrile, veratroylacetonitrile, (3,4-dimethoxybenzoyl)acetonitrile, 3,4-dimethoxbenzoylacetonitrile
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.80018 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 406.78433 |
Chemical Identifiers
| CAS Number | 4640-69-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CC#N)OC |
Product Overview
3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile (CAS 4640-69-1), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile
Property Insights of 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile
The XLogP value of 1.80018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile. With a topological polar surface area (TPSA) of 59.32 Ų, 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile has 0 hydrogen bond donor(s) and 4 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-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile?
The CAS number of 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile is 4640-69-1.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile is C11H11NO3.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile is 205.07 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.