3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile
TL;DR: 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile (CAS 355822-56-9) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile
Also Known As: BAS 02081472, 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile, 3-Benzo[1,3]dioxol-5-yl-3-(2-methoxy-phenyl)-propionitrile, 3-(2H-1,3-BENZODIOXOL-5-YL)-3-(2-METHOXYPHENYL)PROPANENITRILE, 3-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-3-(2-methoxyphenyl)propanenitrile
| Molecular Formula | C17H15NO3 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.46948 |
| Topological Polar Surface Area | 51.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1052 |
| Heavy Atoms | 21 |
| Complexity | 690.67487 |
Chemical Identifiers
| CAS Number | 355822-56-9 |
|---|---|
| SMILES | COC1=CC=CC=C1C(CC#N)C2=CC3=C(C=C2)OCO3 |
Product Overview
3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile (CAS 355822-56-9), with molecular formula C17H15NO3 and molecular weight 281.11 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile
Property Insights of 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile
The XLogP value of 3.46948 indicates that 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.48 Ų, 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile 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-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile is 355822-56-9.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile is C17H15NO3.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile is 281.11 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-3-(2-methoxyphenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.