Methyl 2-isocyano-3-methylbutanoate
TL;DR: Methyl 2-isocyano-3-methylbutanoate (CAS 40846-66-0) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-isocyano-3-methylbutanoate
Also Known As: methyl 2-isocyanoisovalerate, methyl 2-isocyano-3-methylbutanoate, Methyl-2-isocyanoisovalerate, METHYL 2-ISOCYANO-3-METHYLBUTYRATE, Methyl 2-isocyano-3-methyl-butanoate
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 1.10329 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 157.47926 |
Chemical Identifiers
| CAS Number | 40846-66-0 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)[N+]#[C-] |
Product Overview
Methyl 2-isocyano-3-methylbutanoate (CAS 40846-66-0), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: methyl 2-isocyano-3-methylbutanoate.
Chemical Property Profile of Methyl 2-isocyano-3-methylbutanoate
Property Insights of Methyl 2-isocyano-3-methylbutanoate
The XLogP value of 1.10329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-isocyano-3-methylbutanoate. With a topological polar surface area (TPSA) of 30.66 Ų, Methyl 2-isocyano-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-isocyano-3-methylbutanoate 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 Methyl 2-isocyano-3-methylbutanoate?
The CAS number of Methyl 2-isocyano-3-methylbutanoate is 40846-66-0.
What is the molecular formula of Methyl 2-isocyano-3-methylbutanoate?
The molecular formula of Methyl 2-isocyano-3-methylbutanoate is C7H11NO2.
What is the molecular weight of Methyl 2-isocyano-3-methylbutanoate?
The molecular weight of Methyl 2-isocyano-3-methylbutanoate is 141.08 g/mol.
Where can I buy Methyl 2-isocyano-3-methylbutanoate?
You can request a quote for Methyl 2-isocyano-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-isocyano-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-isocyano-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.