Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate
TL;DR: Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate (CAS 6668-06-0) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3,5-dimethylhex-2-enoate
Also Known As: methyl 2-cyano-3,5-dimethylhex-2-enoate, METHYL (E)-2-CYANO-3,5-DIMETHYL-HEX-2-ENOATE
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 6668-06-0 |
|---|---|
| SMILES | CC(C)CC(=C(C#N)C(=O)OC)C |
| InChIKey | JHXKUBARLVSKTG-UHFFFAOYSA-N |
Product Overview
Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate (CAS 6668-06-0), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: methyl 2-cyano-3,5-dimethylhex-2-enoate.
Chemical Property Profile of Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate
Property Insights of Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate. With a topological polar surface area (TPSA) of 50.1 Ų, Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate 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 (E)-2-cyano-3,5-dimethyl-hex-2-enoate?
The CAS number of Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate is 6668-06-0.
What is the molecular formula of Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate?
The molecular formula of Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate is C10H15NO2.
What is the molecular weight of Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate?
The molecular weight of Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate is 181.11 g/mol.
Where can I buy Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate?
You can request a quote for Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (E)-2-cyano-3,5-dimethyl-hex-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.