Dodecanedinitrile
TL;DR: Dodecanedinitrile (CAS 4543-66-2) 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.
dodecanedinitrile
Also Known As: Dodecanedinitrile, 1,10-Dicyanodecane, Dodecanodinitrile, Decamethylenedinitrile, dodecandinitril
| Molecular Formula | C12H20N2 |
|---|---|
| Molecular Weight | 192.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 192.16264 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 4543-66-2 |
|---|---|
| SMILES | C(CCCCCC#N)CCCCC#N |
| InChIKey | AVQYXBDAZWIFTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dodecanedinitrile (CAS 4543-66-2), with molecular formula C12H20N2 and molecular weight 192.16 g/mol. IUPAC: dodecanedinitrile.
Chemical Property Profile of Dodecanedinitrile
Property Insights of Dodecanedinitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dodecanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Dodecanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecanedinitrile 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 Dodecanedinitrile?
The CAS number of Dodecanedinitrile is 4543-66-2.
What is the molecular formula of Dodecanedinitrile?
The molecular formula of Dodecanedinitrile is C12H20N2.
What is the molecular weight of Dodecanedinitrile?
The molecular weight of Dodecanedinitrile is 192.16 g/mol.
Where can I buy Dodecanedinitrile?
You can request a quote for Dodecanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for Dodecanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.