2-Benzylideneheptyl butanoate
TL;DR: 2-Benzylideneheptyl butanoate (CAS 71648-38-9) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylideneheptyl butanoate
Also Known As: 2-benzylideneheptyl butanoate, 2-(Phenylmethylene)heptyl butanoate
| Molecular Formula | C18H26O2 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 4.9936 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 274.19327 |
| Heavy Atoms | 20 |
| Complexity | 406.68622 |
Chemical Identifiers
| CAS Number | 71648-38-9 |
|---|---|
| SMILES | CCCCCC(=CC1=CC=CC=C1)COC(=O)CCC |
Product Overview
2-Benzylideneheptyl butanoate (CAS 71648-38-9), with molecular formula C18H26O2 and molecular weight 274.19 g/mol. IUPAC: 2-benzylideneheptyl butanoate.
Chemical Property Profile of 2-Benzylideneheptyl butanoate
Property Insights of 2-Benzylideneheptyl butanoate
The XLogP value of 4.9936 indicates that 2-Benzylideneheptyl 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, 2-Benzylideneheptyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylideneheptyl 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 2-Benzylideneheptyl butanoate?
The CAS number of 2-Benzylideneheptyl butanoate is 71648-38-9.
What is the molecular formula of 2-Benzylideneheptyl butanoate?
The molecular formula of 2-Benzylideneheptyl butanoate is C18H26O2.
What is the molecular weight of 2-Benzylideneheptyl butanoate?
The molecular weight of 2-Benzylideneheptyl butanoate is 274.19 g/mol.
Where can I buy 2-Benzylideneheptyl butanoate?
You can request a quote for 2-Benzylideneheptyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylideneheptyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylideneheptyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.