Isorotundene
TL;DR: Isorotundene (CAS 394217-20-0) is a chemical compound with molecular formula C15H24 and molecular weight 204.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,5R,6R,8R)-1,5-dimethyl-9-methylidenetricyclo[6.2.2.02,6]dodecane
Also Known As: Isorotundene, (-)-Isorotundene, J1.662.089K, 1,5-Dimethyl-9-methylene-tricyclo[6.2.2.0^(2,6)]dodecane, (1R,2S,5R,6R,8R)-1,5-dimethyl-9-methylidenetricyclo[6.2.2.02,6]dodecane
| Molecular Formula | C15H24 |
|---|---|
| Molecular Weight | 204.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.1878 |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 394217-20-0 |
|---|---|
| SMILES | C[C@@H]1CC[C@H]2[C@@H]1C[C@H]3CC[C@@]2(CC3=C)C |
| InChIKey | NPHFULIVCUBDDN-DVLUHMITSA-N |
Product Overview
Isorotundene (CAS 394217-20-0), with molecular formula C15H24 and molecular weight 204.19 g/mol. IUPAC: (1R,2S,5R,6R,8R)-1,5-dimethyl-9-methylidenetricyclo[6.2.2.02,6]dodecane.
Chemical Property Profile of Isorotundene
Property Insights of Isorotundene
The XLogP value of 5.0 indicates that Isorotundene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Isorotundene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isorotundene has 0 hydrogen bond donor(s) and 0 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 Isorotundene?
The CAS number of Isorotundene is 394217-20-0.
What is the molecular formula of Isorotundene?
The molecular formula of Isorotundene is C15H24.
What is the molecular weight of Isorotundene?
The molecular weight of Isorotundene is 204.19 g/mol.
Where can I buy Isorotundene?
You can request a quote for Isorotundene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isorotundene?
Yes, KEHONG BIO provides custom synthesis services for Isorotundene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.