![1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile structure](/static/products/3367/33676-42-5.webp)
1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile
TL;DR: 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile (CAS 33676-42-5) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
Also Known As: 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile, Cyclooctane,isothiocyanato, 1-(1,3-benzodioxol-5-yl)cyclopropanecarbonitrile, 1-(1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile, 1-Benzo[1,3]dioxol-5-yl-cyclopropanecarbonitrile
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 33676-42-5 |
|---|---|
| SMILES | C1CC1(C#N)C2=CC3=C(C=C2)OCO3 |
| InChIKey | VWWFPPDVEFZZCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile (CAS 33676-42-5), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile.
Chemical Property Profile of 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile
Property Insights of 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile 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 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile?
The CAS number of 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile is 33676-42-5.
What is the molecular formula of 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile?
The molecular formula of 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile is C11H9NO2.
What is the molecular weight of 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile?
The molecular weight of 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile is 187.06 g/mol.
Where can I buy 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile?
You can request a quote for 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.