Non-2-enyl butanoate
TL;DR: Non-2-enyl butanoate (CAS 68922-00-9) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
non-2-enyl butanoate
Also Known As: 2-Nonenyl butyrate, Non-2-enyl butyrate, (Z)-Non-2-enyl butyrate, [(E)-non-2-enyl] butanoate, Butanoic acid,2-nonen-1-yl ester
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 68922-00-9 |
|---|---|
| SMILES | CCCCCCC=CCOC(=O)CCC |
| InChIKey | JTZDGEKMDBKLAI-UHFFFAOYSA-N |
Product Overview
Non-2-enyl butanoate (CAS 68922-00-9), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: non-2-enyl butanoate.
Chemical Property Profile of Non-2-enyl butanoate
Property Insights of Non-2-enyl butanoate
The XLogP value of 4.4 indicates that Non-2-enyl butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Non-2-enyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Non-2-enyl butanoate 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 Non-2-enyl butanoate?
The CAS number of Non-2-enyl butanoate is 68922-00-9.
What is the molecular formula of Non-2-enyl butanoate?
The molecular formula of Non-2-enyl butanoate is C13H24O2.
What is the molecular weight of Non-2-enyl butanoate?
The molecular weight of Non-2-enyl butanoate is 212.18 g/mol.
Where can I buy Non-2-enyl butanoate?
You can request a quote for Non-2-enyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Non-2-enyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for Non-2-enyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.