1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile
TL;DR: 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile (CAS 1703-67-9) is a chemical compound with molecular formula C15H9ClN4 and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chlorotricyclo[5.2.2.02,6]undeca-3,10-diene-8,8,9,9-tetracarbonitrile
Also Known As: 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile, 3-Chlor-3a,4,7,7a-tetrahydro-etheno-inden-5,5,6,6-tetracarbonitril
| Molecular Formula | C15H9ClN4 |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.05157 |
| Heavy Atoms | 20 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 1703-67-9 |
|---|---|
| SMILES | C1=CC(C2C1C3C=CC2C(C3(C#N)C#N)(C#N)C#N)Cl |
| InChIKey | HRBANRVOMWFUBX-UHFFFAOYSA-N |
Product Overview
1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile (CAS 1703-67-9), with molecular formula C15H9ClN4 and molecular weight 280.05 g/mol. IUPAC: 5-chlorotricyclo[5.2.2.02,6]undeca-3,10-diene-8,8,9,9-tetracarbonitrile.
Chemical Property Profile of 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile
Property Insights of 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile. Following Lipinski's Rule of Five, 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile 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 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile?
The CAS number of 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile is 1703-67-9.
What is the molecular formula of 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile?
The molecular formula of 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile is C15H9ClN4.
What is the molecular weight of 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile?
The molecular weight of 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile is 280.05 g/mol.
Where can I buy 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile?
You can request a quote for 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-chloro-3a,4,7,7a-tetrahydro-1H-4,7-ethanoindene-8,8,9,9-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.