2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile
TL;DR: 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile (CAS 67301-99-9) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile
Also Known As: 2-(6-prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile, [6-(prop-1-en-1-yl)-1,3-benzodioxol-5-yl]acetonitrile, 2-[6-[(Z)-prop-1-enyl]-1,3-benzodioxol-5-yl]acetonitrile
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 67301-99-9 |
|---|---|
| SMILES | CC=CC1=CC2=C(C=C1CC#N)OCO2 |
| InChIKey | MNHXCINCHGLVHR-UHFFFAOYSA-N |
Product Overview
2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile (CAS 67301-99-9), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: 2-(6-prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile.
Chemical Property Profile of 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile
Property Insights of 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile 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 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile?
The CAS number of 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile is 67301-99-9.
What is the molecular formula of 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile?
The molecular formula of 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile is C12H11NO2.
What is the molecular weight of 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile?
The molecular weight of 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile is 201.08 g/mol.
Where can I buy 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile?
You can request a quote for 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Prop-1-enyl-1,3-benzodioxol-5-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.