3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile
TL;DR: 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile (CAS 355822-79-6) 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.
3-(1,3-benzodioxol-5-yl)-4-phenylbutanenitrile
Also Known As: BAS 04056366, 3-(1,3-benzodioxol-5-yl)-4-phenylbutanenitrile, 3-Benzo[1,3]dioxol-5-yl-4-phenyl-butyronitrile, 3-(benzo[d][1,3]dioxol-5-yl)-4-phenylbutanenitrile
| Molecular Formula | C17H15NO2 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 3.65528 |
| 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 | 631.1834 |
Chemical Identifiers
| CAS Number | 355822-79-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(CC#N)CC3=CC=CC=C3 |
Product Overview
3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile (CAS 355822-79-6), with molecular formula C17H15NO2 and molecular weight 265.11 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-4-phenylbutanenitrile.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile
Property Insights of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile
The XLogP value of 3.65528 indicates that 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile 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-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile is 355822-79-6.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile is C17H15NO2.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile is 265.11 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile 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)-4-phenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-4-phenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.