Hexyl isocyanide
TL;DR: Hexyl isocyanide (CAS 15586-23-9) is a chemical compound with molecular formula C7H13N and molecular weight 111.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanohexane
Also Known As: 1-isocyanohexane, Hexyl isocyanide, isocyanohexane, Hexylisocyanide, Hexane, 1-isocyano-
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 111.1048 |
| Heavy Atoms | 8 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 15586-23-9 |
|---|---|
| SMILES | CCCCCC[N+]#[C-] |
| InChIKey | AWJCOFYWVBNFET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl isocyanide (CAS 15586-23-9), with molecular formula C7H13N and molecular weight 111.10 g/mol. IUPAC: 1-isocyanohexane.
Chemical Property Profile of Hexyl isocyanide
Property Insights of Hexyl isocyanide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl isocyanide. With a topological polar surface area (TPSA) of 4.4 Ų, Hexyl isocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl isocyanide 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 Hexyl isocyanide?
The CAS number of Hexyl isocyanide is 15586-23-9.
What is the molecular formula of Hexyl isocyanide?
The molecular formula of Hexyl isocyanide is C7H13N.
What is the molecular weight of Hexyl isocyanide?
The molecular weight of Hexyl isocyanide is 111.10 g/mol.
Where can I buy Hexyl isocyanide?
You can request a quote for Hexyl isocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl isocyanide?
Yes, KEHONG BIO provides custom synthesis services for Hexyl isocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.