Octanedinitrile
TL;DR: Octanedinitrile (CAS 629-40-3) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octanedinitrile
Also Known As: Octanedinitrile, 1,6-Dicyanohexane, SUBERONITRILE, Suberodinitrile, Suberic acid dinitrile
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 629-40-3 |
|---|---|
| SMILES | C(CCCC#N)CCC#N |
| InChIKey | BTNXBLUGMAMSSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanedinitrile (CAS 629-40-3), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: octanedinitrile.
Chemical Property Profile of Octanedinitrile
Property Insights of Octanedinitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Octanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanedinitrile 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 Octanedinitrile?
The CAS number of Octanedinitrile is 629-40-3.
What is the molecular formula of Octanedinitrile?
The molecular formula of Octanedinitrile is C8H12N2.
What is the molecular weight of Octanedinitrile?
The molecular weight of Octanedinitrile is 136.10 g/mol.
Where can I buy Octanedinitrile?
You can request a quote for Octanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for Octanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.