Ethyl 2-cyano-3-methyl-2-nonenoate
TL;DR: Ethyl 2-cyano-3-methyl-2-nonenoate (CAS 100522-75-6) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-methylnon-2-enoate
Also Known As: ETHYL 2-CYANO-3-METHYL-2-NONENOATE, ethyl (E)-2-cyano-3-methylnon-2-enoate, ethyl (2E)-2-cyano-3-methylnon-2-enoate, 665-715-8, RefChem:594337
| Molecular Formula | C13H21NO2 |
|---|---|
| Molecular Weight | 223.16 g/mol |
| LogP | 3.35998 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 223.15723 |
| Heavy Atoms | 16 |
| Complexity | 286.79794 |
Chemical Identifiers
| CAS Number | 100522-75-6 |
|---|---|
| SMILES | CCCCCC/C(=C(\C#N)/C(=O)OCC)/C |
Product Overview
Ethyl 2-cyano-3-methyl-2-nonenoate (CAS 100522-75-6), with molecular formula C13H21NO2 and molecular weight 223.16 g/mol. IUPAC: ethyl (E)-2-cyano-3-methylnon-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-methyl-2-nonenoate
Property Insights of Ethyl 2-cyano-3-methyl-2-nonenoate
The XLogP value of 3.35998 indicates that Ethyl 2-cyano-3-methyl-2-nonenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 2-cyano-3-methyl-2-nonenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-methyl-2-nonenoate 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 Ethyl 2-cyano-3-methyl-2-nonenoate?
The CAS number of Ethyl 2-cyano-3-methyl-2-nonenoate is 100522-75-6.
What is the molecular formula of Ethyl 2-cyano-3-methyl-2-nonenoate?
The molecular formula of Ethyl 2-cyano-3-methyl-2-nonenoate is C13H21NO2.
What is the molecular weight of Ethyl 2-cyano-3-methyl-2-nonenoate?
The molecular weight of Ethyl 2-cyano-3-methyl-2-nonenoate is 223.16 g/mol.
Where can I buy Ethyl 2-cyano-3-methyl-2-nonenoate?
You can request a quote for Ethyl 2-cyano-3-methyl-2-nonenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-methyl-2-nonenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-methyl-2-nonenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.