3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile
TL;DR: 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile (CAS 84455-47-0) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)prop-2-enenitrile
Also Known As: Maybridge1_005528, DivK1c_001816, CDS1_000776, BAS 08198746, 3,4-METHYLENEDIOXY-ALPHA-(PARA-TOLYL)-CINNAMONITRILE
| Molecular Formula | C17H13NO2 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.09464 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 84455-47-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=CC2=CC3=C(C=C2)OCO3)C#N |
| InChIKey | RNXQHCQDESYTIQ-UHFFFAOYSA-N |
Product Overview
3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile (CAS 84455-47-0), with molecular formula C17H13NO2 and molecular weight 263.09 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)prop-2-enenitrile.
Chemical Property Profile of 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile
Property Insights of 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile
The XLogP value of 4.2 indicates that 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile 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-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile?
The CAS number of 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile is 84455-47-0.
What is the molecular formula of 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile?
The molecular formula of 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile is C17H13NO2.
What is the molecular weight of 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile?
The molecular weight of 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile is 263.09 g/mol.
Where can I buy 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile?
You can request a quote for 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Methylenedioxy-alpha-(para-tolyl)-cinnamonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.