3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile
TL;DR: 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile (CAS 329020-81-7) is a chemical compound with molecular formula C19H20BrNO4 and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile
Also Known As: 3-(2-bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile, 2-(3,4-dimethoxyphenyl)-3-(2-bromo-4,5-dimethoxyphenyl)propanenitrile
| Molecular Formula | C19H20BrNO4 |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 4.33338 |
| Topological Polar Surface Area | 60.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.05756 |
| Heavy Atoms | 25 |
| Complexity | 785.72406 |
Chemical Identifiers
| CAS Number | 329020-81-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(CC2=CC(=C(C=C2Br)OC)OC)C#N)OC |
Product Overview
3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile (CAS 329020-81-7), with molecular formula C19H20BrNO4 and molecular weight 405.06 g/mol. IUPAC: 3-(2-bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile.
Chemical Property Profile of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile
Property Insights of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile
The XLogP value of 4.33338 indicates that 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile. Following Lipinski's Rule of Five, 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile has 0 hydrogen bond donor(s) and 5 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-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile?
The CAS number of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile is 329020-81-7.
What is the molecular formula of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile?
The molecular formula of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile is C19H20BrNO4.
What is the molecular weight of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile?
The molecular weight of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile is 405.06 g/mol.
Where can I buy 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile?
You can request a quote for 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Bromo-4,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.