![13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile structure](/static/products/6224/62249-51-8.webp)
13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile
TL;DR: 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile (CAS 62249-51-8) is a chemical compound with molecular formula C16H12N4O and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile
| Molecular Formula | C16H12N4O |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.1011 |
| Heavy Atoms | 21 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 62249-51-8 |
|---|---|
| SMILES | C1CC2(C3C=CC(C2(CCC(=C1C#N)C#N)C#N)O3)C#N |
| InChIKey | LRINLJPBDITLDH-UHFFFAOYSA-N |
Product Overview
13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile (CAS 62249-51-8), with molecular formula C16H12N4O and molecular weight 276.10 g/mol. IUPAC: 13-oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile.
Chemical Property Profile of 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile
Property Insights of 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile. Following Lipinski's Rule of Five, 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-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 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile?
The CAS number of 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile is 62249-51-8.
What is the molecular formula of 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile?
The molecular formula of 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile is C16H12N4O.
What is the molecular weight of 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile?
The molecular weight of 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile is 276.10 g/mol.
Where can I buy 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile?
You can request a quote for 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 13-Oxatricyclo[8.2.1.02,9]trideca-5,11-diene-2,5,6,9-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.