9-Octadecynenitrile
TL;DR: 9-Octadecynenitrile (CAS 56599-96-3) 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.
octadec-9-ynenitrile
Also Known As: 9-Octadecynenitrile, octadec-9-ynenitrile, RefChem:313242
| Molecular Formula | C18H31N |
|---|---|
| Molecular Weight | 261.25 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 12 |
| Exact Mass | 261.24564 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 56599-96-3 |
|---|---|
| SMILES | CCCCCCCCC#CCCCCCCCC#N |
| InChIKey | SNVAOTFGBPQRDB-UHFFFAOYSA-N |
Product Overview
9-Octadecynenitrile (CAS 56599-96-3), with molecular formula C18H31N and molecular weight 261.25 g/mol. IUPAC: octadec-9-ynenitrile.
Chemical Property Profile of 9-Octadecynenitrile
Property Insights of 9-Octadecynenitrile
The XLogP value of 6.8 indicates that 9-Octadecynenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 9-Octadecynenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Octadecynenitrile 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 9-Octadecynenitrile?
The CAS number of 9-Octadecynenitrile is 56599-96-3.
What is the molecular formula of 9-Octadecynenitrile?
The molecular formula of 9-Octadecynenitrile is C18H31N.
What is the molecular weight of 9-Octadecynenitrile?
The molecular weight of 9-Octadecynenitrile is 261.25 g/mol.
Where can I buy 9-Octadecynenitrile?
You can request a quote for 9-Octadecynenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Octadecynenitrile?
Yes, KEHONG BIO provides custom synthesis services for 9-Octadecynenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.