2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile
TL;DR: 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile (CAS 18505-91-4) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile
Also Known As: 6-Chloro-7-azaindole, 2,3-Dihydro-1,4-benzodioxin-2-ylacetonitrile, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)acetonitrile, 2-cyanomethyl 1,4-benzodioxan, (2,3-Dihydro-benzo[1,4]dioxin-2-yl)-acetonitrile
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 18505-91-4 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CC#N |
| InChIKey | PWZFEIJALHLRKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile (CAS 18505-91-4), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile.
Chemical Property Profile of 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile
Property Insights of 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3-Dihydro-1,4-benzodioxin-2-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-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile?
The CAS number of 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile is 18505-91-4.
What is the molecular formula of 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile?
The molecular formula of 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile is C10H9NO2.
What is the molecular weight of 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile?
The molecular weight of 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile is 175.06 g/mol.
Where can I buy 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile?
You can request a quote for 2-(2,3-Dihydro-1,4-benzodioxin-2-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-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.