Butane, 1-isocyanato-3-methyl-
TL;DR: Butane, 1-isocyanato-3-methyl- (CAS 1611-65-0) is a chemical compound with molecular formula C6H11NO and molecular weight 113.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-3-methylbutane
Also Known As: 1-isocyanato-3-methylbutane, Isopentylisocyanat, Butane, 1-isocyanato-3-methyl-, isopentyl isocyanate, Isocyanic acid, isopentyl ester
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | 1.3683 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 92.70166 |
Chemical Identifiers
| CAS Number | 1611-65-0 |
|---|---|
| SMILES | CC(C)CCN=C=O |
Product Overview
Butane, 1-isocyanato-3-methyl- (CAS 1611-65-0), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: 1-isocyanato-3-methylbutane.
Chemical Property Profile of Butane, 1-isocyanato-3-methyl-
Property Insights of Butane, 1-isocyanato-3-methyl-
The XLogP value of 1.3683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane, 1-isocyanato-3-methyl-. With a topological polar surface area (TPSA) of 29.43 Ų, Butane, 1-isocyanato-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 1-isocyanato-3-methyl- has 0 hydrogen bond donor(s) and 2 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 Butane, 1-isocyanato-3-methyl-?
The CAS number of Butane, 1-isocyanato-3-methyl- is 1611-65-0.
What is the molecular formula of Butane, 1-isocyanato-3-methyl-?
The molecular formula of Butane, 1-isocyanato-3-methyl- is C6H11NO.
What is the molecular weight of Butane, 1-isocyanato-3-methyl-?
The molecular weight of Butane, 1-isocyanato-3-methyl- is 113.08 g/mol.
Where can I buy Butane, 1-isocyanato-3-methyl-?
You can request a quote for Butane, 1-isocyanato-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 1-isocyanato-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 1-isocyanato-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.