2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile
TL;DR: 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile (CAS 251325-52-7) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.06 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-6-ylmethylidene)propanedinitrile
Also Known As: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile, BAS 08753574, (2,3-Dihydro-1,4-benzodioxin-6-ylmethylene)malononitrile, J3.619.477D, 2-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methylene)malononitrile
| Molecular Formula | C12H8N2O2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 1.88836 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.05858 |
| Heavy Atoms | 16 |
| Complexity | 504.80078 |
Chemical Identifiers
| CAS Number | 251325-52-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C=C(C#N)C#N |
Product Overview
2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile (CAS 251325-52-7), with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol. IUPAC: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile.
Chemical Property Profile of 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile
Property Insights of 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile
The XLogP value of 1.88836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile has 0 hydrogen bond donor(s) and 4 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-6-ylmethylidene)propanedinitrile?
The CAS number of 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile is 251325-52-7.
What is the molecular formula of 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile?
The molecular formula of 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile is C12H8N2O2.
What is the molecular weight of 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile?
The molecular weight of 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile is 212.06 g/mol.
Where can I buy 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile?
You can request a quote for 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile 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-6-ylmethylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.