(2S)-2-isocyanato-3-methylbutane
TL;DR: (2S)-2-isocyanato-3-methylbutane (CAS 749261-38-9) 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.
(2S)-2-isocyanato-3-methylbutane
Also Known As: (2S)-2-isocyanato-3-methylbutane, (S)-(+)-3-Methyl-2-butyl isocyanate, (2S)-2-isocyanato-3-methyl-butane, (S)-3-METHYL-2-BUTYL ISOCYANATE, (S)-( )-3-Methyl-2-butyl isocyanate
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08 g/mol |
| LogP | 1.3667 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 103.09616 |
Chemical Identifiers
| CAS Number | 749261-38-9 |
|---|---|
| SMILES | C[C@@H](C(C)C)N=C=O |
Product Overview
(2S)-2-isocyanato-3-methylbutane (CAS 749261-38-9), with molecular formula C6H11NO and molecular weight 113.08 g/mol. IUPAC: (2S)-2-isocyanato-3-methylbutane.
Chemical Property Profile of (2S)-2-isocyanato-3-methylbutane
Property Insights of (2S)-2-isocyanato-3-methylbutane
The XLogP value of 1.3667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-isocyanato-3-methylbutane. With a topological polar surface area (TPSA) of 29.43 Ų, (2S)-2-isocyanato-3-methylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-isocyanato-3-methylbutane 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 (2S)-2-isocyanato-3-methylbutane?
The CAS number of (2S)-2-isocyanato-3-methylbutane is 749261-38-9.
What is the molecular formula of (2S)-2-isocyanato-3-methylbutane?
The molecular formula of (2S)-2-isocyanato-3-methylbutane is C6H11NO.
What is the molecular weight of (2S)-2-isocyanato-3-methylbutane?
The molecular weight of (2S)-2-isocyanato-3-methylbutane is 113.08 g/mol.
Where can I buy (2S)-2-isocyanato-3-methylbutane?
You can request a quote for (2S)-2-isocyanato-3-methylbutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-isocyanato-3-methylbutane?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-isocyanato-3-methylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.