peach pivalate
TL;DR: peach pivalate (CAS 68039-45-2) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-tricyclo[5.2.1.02,6]dec-4-enyl 2,2-dimethylpropanoate
Also Known As: peach pivalate, 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-yl pivalate, Tricyclo(5.2.1.02,6)dec-3-en-9-yl pivalate, tricyclo[5.2.1.02,6]dec-4-en-8-yl pivalate, 8-tricyclo[5.2.1.02,6]dec-4-enyl 2,2-dimethylpropanoate
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 68039-45-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1CC2CC1C3C2CC=C3 |
| InChIKey | SARNDXMIYRKJOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
peach pivalate (CAS 68039-45-2), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 8-tricyclo[5.2.1.02,6]dec-4-enyl 2,2-dimethylpropanoate.
Chemical Property Profile of peach pivalate
Property Insights of peach pivalate
The XLogP value of 3.6 indicates that peach pivalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, peach pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, peach pivalate 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 peach pivalate?
The CAS number of peach pivalate is 68039-45-2.
What is the molecular formula of peach pivalate?
The molecular formula of peach pivalate is C15H22O2.
What is the molecular weight of peach pivalate?
The molecular weight of peach pivalate is 234.16 g/mol.
Where can I buy peach pivalate?
You can request a quote for peach pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for peach pivalate?
Yes, KEHONG BIO provides custom synthesis services for peach pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.