1-Isocyano-3-methylbutane
TL;DR: 1-Isocyano-3-methylbutane (CAS 638-27-7) is a chemical compound with molecular formula C6H11N and molecular weight 97.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyano-3-methylbutane
Also Known As: Isoamylisocyanide, 1-isocyano-3-methylbutane, Isoamyl-isocyanid, Isopentyl isocyanide, Isocaproic isonitrile
| Molecular Formula | C6H11N |
|---|---|
| Molecular Weight | 97.09 g/mol |
| LogP | 1.95179 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 97.08915 |
| Heavy Atoms | 7 |
| Complexity | 68.73943 |
Chemical Identifiers
| CAS Number | 638-27-7 |
|---|---|
| SMILES | CC(C)CC[N+]#[C-] |
Product Overview
1-Isocyano-3-methylbutane (CAS 638-27-7), with molecular formula C6H11N and molecular weight 97.09 g/mol. IUPAC: 1-isocyano-3-methylbutane.
Chemical Property Profile of 1-Isocyano-3-methylbutane
Property Insights of 1-Isocyano-3-methylbutane
The XLogP value of 1.95179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isocyano-3-methylbutane. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Isocyano-3-methylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyano-3-methylbutane 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 1-Isocyano-3-methylbutane?
The CAS number of 1-Isocyano-3-methylbutane is 638-27-7.
What is the molecular formula of 1-Isocyano-3-methylbutane?
The molecular formula of 1-Isocyano-3-methylbutane is C6H11N.
What is the molecular weight of 1-Isocyano-3-methylbutane?
The molecular weight of 1-Isocyano-3-methylbutane is 97.09 g/mol.
Where can I buy 1-Isocyano-3-methylbutane?
You can request a quote for 1-Isocyano-3-methylbutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyano-3-methylbutane?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyano-3-methylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.