2-Isocyanobutane
TL;DR: 2-Isocyanobutane (CAS 14069-89-7) 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.
2-isocyanobutane
Also Known As: 2-isocyanobutane, Butane, 2-isocyano-, sec-Butylisocyanide, sec-butyl isocyanide, methyl propyl isonitrile
| Molecular Formula | C5H9N |
|---|---|
| Molecular Weight | 83.07 g/mol |
| LogP | 1.70419 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 83.0735 |
| Heavy Atoms | 6 |
| Complexity | 60.828922 |
Chemical Identifiers
| CAS Number | 14069-89-7 |
|---|---|
| SMILES | CCC(C)[N+]#[C-] |
Product Overview
2-Isocyanobutane (CAS 14069-89-7), with molecular formula C5H9N and molecular weight 83.07 g/mol. IUPAC: 2-isocyanobutane.
Chemical Property Profile of 2-Isocyanobutane
Property Insights of 2-Isocyanobutane
The XLogP value of 1.70419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyanobutane. With a topological polar surface area (TPSA) of 4.36 Ų, 2-Isocyanobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyanobutane 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 2-Isocyanobutane?
The CAS number of 2-Isocyanobutane is 14069-89-7.
What is the molecular formula of 2-Isocyanobutane?
The molecular formula of 2-Isocyanobutane is C5H9N.
What is the molecular weight of 2-Isocyanobutane?
The molecular weight of 2-Isocyanobutane is 83.07 g/mol.
Where can I buy 2-Isocyanobutane?
You can request a quote for 2-Isocyanobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyanobutane?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyanobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.