4,8,12-Trimethyltrideca-3,7,11-trienenitrile
TL;DR: 4,8,12-Trimethyltrideca-3,7,11-trienenitrile (CAS 6006-01-5) is a chemical compound with molecular formula C16H25N and molecular weight 231.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8,12-trimethyltrideca-3,7,11-trienenitrile
Also Known As: Farnesyl cyanide, 4,8,12-Trimethyl-3,7,11-tridecatrienenitrile, 3,7,11-Tridecatrienenitrile,4,8,12-trimethyl-
| Molecular Formula | C16H25N |
|---|---|
| Molecular Weight | 231.20 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 231.1987 |
| Heavy Atoms | 17 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 6006-01-5 |
|---|---|
| SMILES | CC(=CCCC(=CCCC(=CCC#N)C)C)C |
| InChIKey | CXMUQCRSSKJBHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,8,12-Trimethyltrideca-3,7,11-trienenitrile (CAS 6006-01-5), with molecular formula C16H25N and molecular weight 231.20 g/mol. IUPAC: 4,8,12-trimethyltrideca-3,7,11-trienenitrile.
Chemical Property Profile of 4,8,12-Trimethyltrideca-3,7,11-trienenitrile
Property Insights of 4,8,12-Trimethyltrideca-3,7,11-trienenitrile
The XLogP value of 5.3 indicates that 4,8,12-Trimethyltrideca-3,7,11-trienenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 4,8,12-Trimethyltrideca-3,7,11-trienenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,8,12-Trimethyltrideca-3,7,11-trienenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,8,12-Trimethyltrideca-3,7,11-trienenitrile?
The CAS number of 4,8,12-Trimethyltrideca-3,7,11-trienenitrile is 6006-01-5.
What is the molecular formula of 4,8,12-Trimethyltrideca-3,7,11-trienenitrile?
The molecular formula of 4,8,12-Trimethyltrideca-3,7,11-trienenitrile is C16H25N.
What is the molecular weight of 4,8,12-Trimethyltrideca-3,7,11-trienenitrile?
The molecular weight of 4,8,12-Trimethyltrideca-3,7,11-trienenitrile is 231.20 g/mol.
Where can I buy 4,8,12-Trimethyltrideca-3,7,11-trienenitrile?
You can request a quote for 4,8,12-Trimethyltrideca-3,7,11-trienenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,8,12-Trimethyltrideca-3,7,11-trienenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,8,12-Trimethyltrideca-3,7,11-trienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.