3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile
TL;DR: 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile (CAS 124487-61-2) is a chemical compound with molecular formula C18H8N4O and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxatetracyclo[8.2.2.12,5.09,15]pentadeca-2,5,7,9(15),13-pentaene-11,11,12,12-tetracarbonitrile
Also Known As: [?]tetracarbonitrile|NCI60_009506|3,6-dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile|[(5-Oxo-5H-benzocyclohepten-4-yl)oxy]acetic acid|Tetracyanoethylene-Cyclohepta[cd]benzofuran Diels Alder Adduct|Tetracyanoethylene-Cyclohepta[cd]benzofuran Diels Alder Addu|3,6-dihydro-3,6-ethanocyclohepta[cd][1]benzofuran-10,10,11,11-tetracarbonitrile|6,9-Dihydro-6,9-ethano-2-oxabenzo[cd]azulene-10,10,11,11-tetracarbonitrile
| Molecular Formula | C18H8N4O |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.06982 |
| Heavy Atoms | 23 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 124487-61-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)OC=C3C4C=CC2C(C4(C#N)C#N)(C#N)C#N |
| InChIKey | IXBYUNCAQXOWQZ-UHFFFAOYSA-N |
Product Overview
3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile (CAS 124487-61-2), with molecular formula C18H8N4O and molecular weight 296.07 g/mol. IUPAC: 4-oxatetracyclo[8.2.2.12,5.09,15]pentadeca-2,5,7,9(15),13-pentaene-11,11,12,12-tetracarbonitrile.
Chemical Property Profile of 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile
Property Insights of 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile. Following Lipinski's Rule of Five, 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile has 0 hydrogen bond donor(s) and 5 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 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile?
The CAS number of 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile is 124487-61-2.
What is the molecular formula of 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile?
The molecular formula of 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile is C18H8N4O.
What is the molecular weight of 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile?
The molecular weight of 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile is 296.07 g/mol.
Where can I buy 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile?
You can request a quote for 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dihydro-3,6-ethanocyclohepta(cd)(1)benzofuran-10,10,11,11-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.