3-Methyldecanenitrile
TL;DR: 3-Methyldecanenitrile (CAS 85351-05-9) is a chemical compound with molecular formula C11H21N and molecular weight 167.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyldecanenitrile
Also Known As: 3-Methyldecanenitrile, Decanenitrile,3-methyl-, EINECS 286-727-6, 286-727-6, RefChem:94877
| Molecular Formula | C11H21N |
|---|---|
| Molecular Weight | 167.17 g/mol |
| LogP | 3.89668 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 167.1674 |
| Heavy Atoms | 12 |
| Complexity | 123.456024 |
Chemical Identifiers
| CAS Number | 85351-05-9 |
|---|---|
| SMILES | CCCCCCCC(C)CC#N |
Product Overview
3-Methyldecanenitrile (CAS 85351-05-9), with molecular formula C11H21N and molecular weight 167.17 g/mol. IUPAC: 3-methyldecanenitrile.
Chemical Property Profile of 3-Methyldecanenitrile
Property Insights of 3-Methyldecanenitrile
The XLogP value of 3.89668 indicates that 3-Methyldecanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 3-Methyldecanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyldecanenitrile has 0 hydrogen bond donor(s) and 1 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 3-Methyldecanenitrile?
The CAS number of 3-Methyldecanenitrile is 85351-05-9.
What is the molecular formula of 3-Methyldecanenitrile?
The molecular formula of 3-Methyldecanenitrile is C11H21N.
What is the molecular weight of 3-Methyldecanenitrile?
The molecular weight of 3-Methyldecanenitrile is 167.17 g/mol.
Where can I buy 3-Methyldecanenitrile?
You can request a quote for 3-Methyldecanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyldecanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyldecanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.