2,3-Dihydro-1,4-benzodioxine-6-carbonitrile
TL;DR: 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile (CAS 19102-07-9) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1,4-benzodioxine-6-carbonitrile
Also Known As: 2,3-dihydro-1,4-benzodioxine-6-carbonitrile, 2,3-Dihydrobenzo[b][1,4]dioxine-6-carbonitrile, 1,4-Benzodioxane-6-carbonitrile, 1,4-Benzodioxin-6-carbonitrile, 2,3-dihydro-, 3,4-ethylenedioxybenzonitrile
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.32948 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 340.87204 |
Chemical Identifiers
| CAS Number | 19102-07-9 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C#N |
Product Overview
2,3-Dihydro-1,4-benzodioxine-6-carbonitrile (CAS 19102-07-9), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 2,3-dihydro-1,4-benzodioxine-6-carbonitrile.
Chemical Property Profile of 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile
Property Insights of 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile
The XLogP value of 1.32948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile 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 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile?
The CAS number of 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile is 19102-07-9.
What is the molecular formula of 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile?
The molecular formula of 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile is C9H7NO2.
What is the molecular weight of 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile?
The molecular weight of 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile is 161.05 g/mol.
Where can I buy 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile?
You can request a quote for 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.