3-Isocyanooctane
TL;DR: 3-Isocyanooctane (CAS 602262-08-8) is a chemical compound with molecular formula C9H17N and molecular weight 139.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyanooctane
Also Known As: 3-isocyanooctane, Octane, 3-isocyano-
| Molecular Formula | C9H17N |
|---|---|
| Molecular Weight | 139.14 g/mol |
| LogP | 3.26459 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 139.1361 |
| Heavy Atoms | 10 |
| Complexity | 101.78612 |
Chemical Identifiers
| CAS Number | 602262-08-8 |
|---|---|
| SMILES | CCCCCC(CC)[N+]#[C-] |
Product Overview
3-Isocyanooctane (CAS 602262-08-8), with molecular formula C9H17N and molecular weight 139.14 g/mol. IUPAC: 3-isocyanooctane.
Chemical Property Profile of 3-Isocyanooctane
Property Insights of 3-Isocyanooctane
The XLogP value of 3.26459 indicates that 3-Isocyanooctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 3-Isocyanooctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isocyanooctane has 0 hydrogen bond donor(s) and 0 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-Isocyanooctane?
The CAS number of 3-Isocyanooctane is 602262-08-8.
What is the molecular formula of 3-Isocyanooctane?
The molecular formula of 3-Isocyanooctane is C9H17N.
What is the molecular weight of 3-Isocyanooctane?
The molecular weight of 3-Isocyanooctane is 139.14 g/mol.
Where can I buy 3-Isocyanooctane?
You can request a quote for 3-Isocyanooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isocyanooctane?
Yes, KEHONG BIO provides custom synthesis services for 3-Isocyanooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.