Ethyl 2-isocyano-3-methylbutanoate
TL;DR: Ethyl 2-isocyano-3-methylbutanoate (CAS 71014-99-8) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-isocyano-3-methylbutanoate
Also Known As: ethyl 2-isocyano-3-methylbutanoate, ethyl2-isocyano-3-methylbutanoate, Ethyl 2-isocyano-3-methyl-butanoate, 2-Isocyano-3-methylbutanoic acid ethyl ester, J1.831.517C
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 1.49339 |
| Topological Polar Surface Area | 30.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 169.4211 |
Chemical Identifiers
| CAS Number | 71014-99-8 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C)[N+]#[C-] |
Product Overview
Ethyl 2-isocyano-3-methylbutanoate (CAS 71014-99-8), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: ethyl 2-isocyano-3-methylbutanoate.
Chemical Property Profile of Ethyl 2-isocyano-3-methylbutanoate
Property Insights of Ethyl 2-isocyano-3-methylbutanoate
The XLogP value of 1.49339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-isocyano-3-methylbutanoate. With a topological polar surface area (TPSA) of 30.66 Ų, Ethyl 2-isocyano-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 2-isocyano-3-methylbutanoate?
The CAS number of Ethyl 2-isocyano-3-methylbutanoate is 71014-99-8.
What is the molecular formula of Ethyl 2-isocyano-3-methylbutanoate?
The molecular formula of Ethyl 2-isocyano-3-methylbutanoate is C8H13NO2.
What is the molecular weight of Ethyl 2-isocyano-3-methylbutanoate?
The molecular weight of Ethyl 2-isocyano-3-methylbutanoate is 155.09 g/mol.
Where can I buy Ethyl 2-isocyano-3-methylbutanoate?
You can request a quote for Ethyl 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 Ethyl 2-isocyano-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-isocyano-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.