Piperityl acetate
TL;DR: Piperityl acetate (CAS 1204-30-4) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl) acetate
Also Known As: Piperityl acetate, trans-piperityl acetate, trans-Piperitol acetate, 1-p-Menthen-3-yl acetate, p-Menth-1-ene-3-yl=acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 1204-30-4 |
|---|---|
| SMILES | CC1=CC(C(CC1)C(C)C)OC(=O)C |
| InChIKey | NADGBBLSBLDJEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Piperityl acetate (CAS 1204-30-4), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: (3-methyl-6-propan-2-ylcyclohex-2-en-1-yl) acetate.
Chemical Property Profile of Piperityl acetate
Property Insights of Piperityl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperityl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Piperityl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperityl 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 Piperityl acetate?
The CAS number of Piperityl acetate is 1204-30-4.
What is the molecular formula of Piperityl acetate?
The molecular formula of Piperityl acetate is C12H20O2.
What is the molecular weight of Piperityl acetate?
The molecular weight of Piperityl acetate is 196.15 g/mol.
Where can I buy Piperityl acetate?
You can request a quote for Piperityl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperityl acetate?
Yes, KEHONG BIO provides custom synthesis services for Piperityl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.