Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl-
TL;DR: Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl- (CAS 21132-40-1) is a chemical compound with molecular formula C17H15NO2 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enenitrile
Also Known As: (2E)-3-(3,4-dimethoxyphenyl)-2-phenylacrylonitrile, 3,4-Dimethoxy-alpha-phenylcinnamonitrile, 3,4-Dimethoxy-, A-phenylcinnamonitrile, CINNAMONITRILE, 3,4-DIMETHOXY-alpha-PHENYL-
| Molecular Formula | C17H15NO2 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 3.76798 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.1103 |
| Heavy Atoms | 20 |
| Complexity | 654.43536 |
Chemical Identifiers
| CAS Number | 21132-40-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(/C#N)\C2=CC=CC=C2)OC |
Product Overview
Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl- (CAS 21132-40-1), with molecular formula C17H15NO2 and molecular weight 265.11 g/mol. IUPAC: (E)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enenitrile.
Chemical Property Profile of Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl-
Property Insights of Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl-
The XLogP value of 3.76798 indicates that Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl- 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 Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl-?
The CAS number of Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl- is 21132-40-1.
What is the molecular formula of Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl-?
The molecular formula of Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl- is C17H15NO2.
What is the molecular weight of Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl-?
The molecular weight of Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl- is 265.11 g/mol.
Where can I buy Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl-?
You can request a quote for Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Cinnamonitrile, 3,4-dimethoxy-alpha-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.