3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile
TL;DR: 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile (CAS 219839-48-2) is a chemical compound with molecular formula C10H12N4 and molecular weight 188.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylidene-1,5-diazocane-1,5-dicarbonitrile
Also Known As: starbld0007016, 3,7-dimethylidene-1,5-diazocane-1,5-dicarbonitrile, 3,7-Dimethylene-1,5-diazocane-1,5-dicarbonitrile
| Molecular Formula | C10H12N4 |
|---|---|
| Molecular Weight | 188.11 g/mol |
| LogP | 0.67856 |
| Topological Polar Surface Area | 54.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.1062 |
| Heavy Atoms | 14 |
| Complexity | 281.0116 |
Chemical Identifiers
| CAS Number | 219839-48-2 |
|---|---|
| SMILES | C=C1CN(CC(=C)CN(C1)C#N)C#N |
Product Overview
3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile (CAS 219839-48-2), with molecular formula C10H12N4 and molecular weight 188.11 g/mol. IUPAC: 3,7-dimethylidene-1,5-diazocane-1,5-dicarbonitrile.
Chemical Property Profile of 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile
Property Insights of 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile
The XLogP value of 0.67856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile. With a topological polar surface area (TPSA) of 54.06 Ų, 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile 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 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile?
The CAS number of 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile is 219839-48-2.
What is the molecular formula of 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile?
The molecular formula of 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile is C10H12N4.
What is the molecular weight of 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile?
The molecular weight of 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile is 188.11 g/mol.
Where can I buy 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile?
You can request a quote for 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylidene-1,5-diazocane-1,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.