Rotundifolone
TL;DR: Rotundifolone (CAS 3564-96-3) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,6S)-6-methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one
Also Known As: Rotundifolone, Piperitenone oxide, Lippione, (+-)-Rotundifolone, cis-Piperitenone epoxide
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 3564-96-3 |
|---|---|
| SMILES | CC(=C1CC[C@]2([C@@H](C1=O)O2)C)C |
| InChIKey | AKASWINDKIEEBO-ZJUUUORDSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rotundifolone (CAS 3564-96-3), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: (1S,6S)-6-methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one.
Chemical Property Profile of Rotundifolone
Property Insights of Rotundifolone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rotundifolone. With a topological polar surface area (TPSA) of 29.6 Ų, Rotundifolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rotundifolone 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 Rotundifolone?
The CAS number of Rotundifolone is 3564-96-3.
What is the molecular formula of Rotundifolone?
The molecular formula of Rotundifolone is C10H14O2.
What is the molecular weight of Rotundifolone?
The molecular weight of Rotundifolone is 166.10 g/mol.
Where can I buy Rotundifolone?
You can request a quote for Rotundifolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rotundifolone?
Yes, KEHONG BIO provides custom synthesis services for Rotundifolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.