2-(Phenylmethylene)heptyl acetate
TL;DR: 2-(Phenylmethylene)heptyl acetate (CAS 75762-47-9) is a chemical compound with molecular formula C16H22O2 and molecular weight 246.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2E)-2-benzylideneheptyl] acetate
Also Known As: Amyl cinnamic acetate, alpha-Pentylcinnamyl acetate, alpha-Amylcinnamyl acetate, 2-benzylideneheptyl acetate, alpha-Pentyl cinnamyl acetate
| Molecular Formula | C16H22O2 |
|---|---|
| Molecular Weight | 246.16 g/mol |
| LogP | 4.2134 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 246.16199 |
| Heavy Atoms | 18 |
| Complexity | 379.34326 |
Chemical Identifiers
| CAS Number | 75762-47-9 |
|---|---|
| SMILES | CCCCC/C(=C\C1=CC=CC=C1)/COC(=O)C |
Product Overview
2-(Phenylmethylene)heptyl acetate (CAS 75762-47-9), with molecular formula C16H22O2 and molecular weight 246.16 g/mol. IUPAC: [(2E)-2-benzylideneheptyl] acetate.
Chemical Property Profile of 2-(Phenylmethylene)heptyl acetate
Property Insights of 2-(Phenylmethylene)heptyl acetate
The XLogP value of 4.2134 indicates that 2-(Phenylmethylene)heptyl acetate 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-(Phenylmethylene)heptyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylmethylene)heptyl acetate 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-(Phenylmethylene)heptyl acetate?
The CAS number of 2-(Phenylmethylene)heptyl acetate is 75762-47-9.
What is the molecular formula of 2-(Phenylmethylene)heptyl acetate?
The molecular formula of 2-(Phenylmethylene)heptyl acetate is C16H22O2.
What is the molecular weight of 2-(Phenylmethylene)heptyl acetate?
The molecular weight of 2-(Phenylmethylene)heptyl acetate is 246.16 g/mol.
Where can I buy 2-(Phenylmethylene)heptyl acetate?
You can request a quote for 2-(Phenylmethylene)heptyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylmethylene)heptyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylmethylene)heptyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.