Pinocarvyl acetate
TL;DR: Pinocarvyl acetate (CAS 1078-95-1) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl) acetate
Also Known As: Pinocarvyl acetate, 3-acetoxypinene, cis-Pinocarvyl acetate, trans-Pinocarvyl acetate, 2(10)-Pinen-3-ol, acetate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 1078-95-1 |
|---|---|
| SMILES | CC(=O)OC1CC2CC(C1=C)C2(C)C |
| InChIKey | UDBAGFUFASPUFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pinocarvyl acetate (CAS 1078-95-1), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: (6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl) acetate.
Chemical Property Profile of Pinocarvyl acetate
Property Insights of Pinocarvyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinocarvyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Pinocarvyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pinocarvyl 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 Pinocarvyl acetate?
The CAS number of Pinocarvyl acetate is 1078-95-1.
What is the molecular formula of Pinocarvyl acetate?
The molecular formula of Pinocarvyl acetate is C12H18O2.
What is the molecular weight of Pinocarvyl acetate?
The molecular weight of Pinocarvyl acetate is 194.13 g/mol.
Where can I buy Pinocarvyl acetate?
You can request a quote for Pinocarvyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinocarvyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Pinocarvyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.