alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile
TL;DR: alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile (CAS 7520-72-1) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)prop-2-enenitrile
Also Known As: 3-(3,4-Dimethoxyphenyl)-2-(methoxymethyl)acrylonitrile, alpha-(3,4-dimethoxy-benzal)-beta-methoxy-propionitrile, 2-Propenenitrile,3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-, 3-(3,4-Dimethoxyphenyl)-2-(methoxymethyl)-2-propenenitrile, 3-(3,4-DIMETHOXYPHENYL)-2-(METHOXYMETHYL)PROP-2-ENENITRILE
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 7520-72-1 |
|---|---|
| SMILES | COCC(=CC1=CC(=C(C=C1)OC)OC)C#N |
| InChIKey | ITWADOIIIDKDET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile (CAS 7520-72-1), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-2-(methoxymethyl)prop-2-enenitrile.
Chemical Property Profile of alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile
Property Insights of alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile. With a topological polar surface area (TPSA) of 51.5 Ų, alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile 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 alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile?
The CAS number of alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile is 7520-72-1.
What is the molecular formula of alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile?
The molecular formula of alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile is C13H15NO3.
What is the molecular weight of alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile?
The molecular weight of alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile is 233.11 g/mol.
Where can I buy alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile?
You can request a quote for alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-(3,4-Dimethoxy-benzal)-beta-methoxy-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.