Butyl isocyanide
TL;DR: Butyl isocyanide (CAS 2769-64-4) is a chemical compound with molecular formula C5H9N and molecular weight 83.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanobutane
Also Known As: n-Butyl isocyanide, 1-isocyanobutane, Butyl isocyanide, N-BUTYLISOCYANIDE, Butane, 1-isocyano-
| Molecular Formula | C5H9N |
|---|---|
| Molecular Weight | 83.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 83.0735 |
| Heavy Atoms | 6 |
| Complexity | 57.0 |
| Boiling Point | 120 |
Chemical Identifiers
| CAS Number | 2769-64-4 |
|---|---|
| SMILES | CCCC[N+]#[C-] |
| InChIKey | FSBLVBBRXSCOKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl isocyanide (CAS 2769-64-4), with molecular formula C5H9N and molecular weight 83.07 g/mol. IUPAC: 1-isocyanobutane.
Chemical Property Profile of Butyl isocyanide
Property Insights of Butyl isocyanide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl isocyanide. With a topological polar surface area (TPSA) of 4.4 Ų, Butyl isocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl isocyanide?
The CAS number of Butyl isocyanide is 2769-64-4.
What is the molecular formula of Butyl isocyanide?
The molecular formula of Butyl isocyanide is C5H9N.
What is the molecular weight of Butyl isocyanide?
The molecular weight of Butyl isocyanide is 83.07 g/mol.
Where can I buy Butyl isocyanide?
You can request a quote for Butyl isocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl isocyanide?
Yes, KEHONG BIO provides custom synthesis services for Butyl isocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.