2,7-Dimethyl-2,7-octanedicarbonitrile
TL;DR: 2,7-Dimethyl-2,7-octanedicarbonitrile (CAS 13865-25-3) is a chemical compound with molecular formula C12H20N2 and molecular weight 192.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,7,7-tetramethyloctanedinitrile
Also Known As: 2,2,7,7-tetramethyloctanedinitrile, 2,2,7,7-tetramethyl-octanedinitrile, 2,7-DIMETHYL-2,7-OCTANEDICARBONITRILE, 662-839-4, RefChem:445981
| Molecular Formula | C12H20N2 |
|---|---|
| Molecular Weight | 192.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.16264 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 13865-25-3 |
|---|---|
| SMILES | CC(C)(CCCCC(C)(C)C#N)C#N |
| InChIKey | MZLDHJUKJGFOQQ-UHFFFAOYSA-N |
Product Overview
2,7-Dimethyl-2,7-octanedicarbonitrile (CAS 13865-25-3), with molecular formula C12H20N2 and molecular weight 192.16 g/mol. IUPAC: 2,2,7,7-tetramethyloctanedinitrile.
Chemical Property Profile of 2,7-Dimethyl-2,7-octanedicarbonitrile
Property Insights of 2,7-Dimethyl-2,7-octanedicarbonitrile
The XLogP value of 3.3 indicates that 2,7-Dimethyl-2,7-octanedicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2,7-Dimethyl-2,7-octanedicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Dimethyl-2,7-octanedicarbonitrile has 0 hydrogen bond donor(s) and 2 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 2,7-Dimethyl-2,7-octanedicarbonitrile?
The CAS number of 2,7-Dimethyl-2,7-octanedicarbonitrile is 13865-25-3.
What is the molecular formula of 2,7-Dimethyl-2,7-octanedicarbonitrile?
The molecular formula of 2,7-Dimethyl-2,7-octanedicarbonitrile is C12H20N2.
What is the molecular weight of 2,7-Dimethyl-2,7-octanedicarbonitrile?
The molecular weight of 2,7-Dimethyl-2,7-octanedicarbonitrile is 192.16 g/mol.
Where can I buy 2,7-Dimethyl-2,7-octanedicarbonitrile?
You can request a quote for 2,7-Dimethyl-2,7-octanedicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Dimethyl-2,7-octanedicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dimethyl-2,7-octanedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.