Methyl 2-cyano-2-ethyl-3-methylvalerate
TL;DR: Methyl 2-cyano-2-ethyl-3-methylvalerate (CAS 71735-23-4) is a chemical compound with molecular formula C10H17NO2 and molecular weight 183.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-2-ethyl-3-methylpentanoate
Also Known As: Methyl 2-cyano-2-ethyl-3-methylvalerate, methyl 2-cyano-2-ethyl-3-methylpentanoate, EINECS 275-935-2, Pentanoic acid,2-cyano-2-ethyl-3-methyl-, methyl ester, 2-Cyano-2-ethyl-3-methylpentanoic acid methyl ester
| Molecular Formula | C10H17NO2 |
|---|---|
| Molecular Weight | 183.13 g/mol |
| LogP | 2.12548 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 219.45486 |
Chemical Identifiers
| CAS Number | 71735-23-4 |
|---|---|
| SMILES | CCC(C)C(CC)(C#N)C(=O)OC |
Product Overview
Methyl 2-cyano-2-ethyl-3-methylvalerate (CAS 71735-23-4), with molecular formula C10H17NO2 and molecular weight 183.13 g/mol. IUPAC: methyl 2-cyano-2-ethyl-3-methylpentanoate.
Chemical Property Profile of Methyl 2-cyano-2-ethyl-3-methylvalerate
Property Insights of Methyl 2-cyano-2-ethyl-3-methylvalerate
The XLogP value of 2.12548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-2-ethyl-3-methylvalerate. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 2-cyano-2-ethyl-3-methylvalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-cyano-2-ethyl-3-methylvalerate has 0 hydrogen bond donor(s) and 3 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-cyano-2-ethyl-3-methylvalerate?
The CAS number of Methyl 2-cyano-2-ethyl-3-methylvalerate is 71735-23-4.
What is the molecular formula of Methyl 2-cyano-2-ethyl-3-methylvalerate?
The molecular formula of Methyl 2-cyano-2-ethyl-3-methylvalerate is C10H17NO2.
What is the molecular weight of Methyl 2-cyano-2-ethyl-3-methylvalerate?
The molecular weight of Methyl 2-cyano-2-ethyl-3-methylvalerate is 183.13 g/mol.
Where can I buy Methyl 2-cyano-2-ethyl-3-methylvalerate?
You can request a quote for Methyl 2-cyano-2-ethyl-3-methylvalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-2-ethyl-3-methylvalerate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-2-ethyl-3-methylvalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.