(9E,12E)-octadeca-9,12-dienenitrile
TL;DR: (9E,12E)-octadeca-9,12-dienenitrile (CAS 68002-64-2) is a chemical compound with molecular formula C18H31N and molecular weight 261.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9E,12E)-octadeca-9,12-dienenitrile
Also Known As: Nitriles, C16 and C18-unsatd., EINECS 268-078-0, C16 and C18 Unsaturated alkylnitrile, (9E,12E)-octadeca-9,12-dienenitrile, (C16 And C18) Unsaturated alkylnitrile
| Molecular Formula | C18H31N |
|---|---|
| Molecular Weight | 261.25 g/mol |
| LogP | 6.32348 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 13 |
| Exact Mass | 261.24564 |
| Heavy Atoms | 19 |
| Complexity | 257.35406 |
Chemical Identifiers
| CAS Number | 68002-64-2 |
|---|---|
| SMILES | CCCCC/C=C/C/C=C/CCCCCCCC#N |
Product Overview
(9E,12E)-octadeca-9,12-dienenitrile (CAS 68002-64-2), with molecular formula C18H31N and molecular weight 261.25 g/mol. IUPAC: (9E,12E)-octadeca-9,12-dienenitrile.
Chemical Property Profile of (9E,12E)-octadeca-9,12-dienenitrile
Property Insights of (9E,12E)-octadeca-9,12-dienenitrile
The XLogP value of 6.32348 indicates that (9E,12E)-octadeca-9,12-dienenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, (9E,12E)-octadeca-9,12-dienenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (9E,12E)-octadeca-9,12-dienenitrile 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 (9E,12E)-octadeca-9,12-dienenitrile?
The CAS number of (9E,12E)-octadeca-9,12-dienenitrile is 68002-64-2.
What is the molecular formula of (9E,12E)-octadeca-9,12-dienenitrile?
The molecular formula of (9E,12E)-octadeca-9,12-dienenitrile is C18H31N.
What is the molecular weight of (9E,12E)-octadeca-9,12-dienenitrile?
The molecular weight of (9E,12E)-octadeca-9,12-dienenitrile is 261.25 g/mol.
Where can I buy (9E,12E)-octadeca-9,12-dienenitrile?
You can request a quote for (9E,12E)-octadeca-9,12-dienenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9E,12E)-octadeca-9,12-dienenitrile?
Yes, KEHONG BIO provides custom synthesis services for (9E,12E)-octadeca-9,12-dienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.