(-)-Rotundone
TL;DR: (-)-Rotundone (CAS 18374-76-0) is a chemical compound with molecular formula C15H22O and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,8S)-3,8-dimethyl-5-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-azulen-1-one
Also Known As: Rotundone, (-)-Rotundone, Fema No. 4867, Rotundone - 30%, Rotundone - 90%
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 3.9042 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 361.63126 |
Chemical Identifiers
| CAS Number | 18374-76-0 |
|---|---|
| SMILES | C[C@H]1CC[C@H](CC2=C1C(=O)C[C@@H]2C)C(=C)C |
Product Overview
(-)-Rotundone (CAS 18374-76-0), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: (3S,5R,8S)-3,8-dimethyl-5-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-azulen-1-one.
Chemical Property Profile of (-)-Rotundone
Property Insights of (-)-Rotundone
The XLogP value of 3.9042 indicates that (-)-Rotundone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (-)-Rotundone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-Rotundone has 0 hydrogen bond donor(s) and 1 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 (-)-Rotundone?
The CAS number of (-)-Rotundone is 18374-76-0.
What is the molecular formula of (-)-Rotundone?
The molecular formula of (-)-Rotundone is C15H22O.
What is the molecular weight of (-)-Rotundone?
The molecular weight of (-)-Rotundone is 218.17 g/mol.
Where can I buy (-)-Rotundone?
You can request a quote for (-)-Rotundone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-Rotundone?
Yes, KEHONG BIO provides custom synthesis services for (-)-Rotundone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.