Calamenene (mixed isomers)
TL;DR: Calamenene (mixed isomers) (CAS 6617-49-8) is a chemical compound with molecular formula C15H22 and molecular weight 202.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
Also Known As: Calamenene I, (E)-Calamene, Calamenene II, (Z)-calamenene, (-)-Calamenene
| Molecular Formula | C15H22 |
|---|---|
| Molecular Weight | 202.17 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.17215 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 6617-49-8 |
|---|---|
| SMILES | CC1CCC(C2=C1C=CC(=C2)C)C(C)C |
| InChIKey | PGTJIOWQJWHTJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calamenene (mixed isomers) (CAS 6617-49-8), with molecular formula C15H22 and molecular weight 202.17 g/mol. IUPAC: 1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
Chemical Property Profile of Calamenene (mixed isomers)
Property Insights of Calamenene (mixed isomers)
The XLogP value of 5.1 indicates that Calamenene (mixed isomers) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Calamenene (mixed isomers) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calamenene (mixed isomers) has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calamenene (mixed isomers)?
The CAS number of Calamenene (mixed isomers) is 6617-49-8.
What is the molecular formula of Calamenene (mixed isomers)?
The molecular formula of Calamenene (mixed isomers) is C15H22.
What is the molecular weight of Calamenene (mixed isomers)?
The molecular weight of Calamenene (mixed isomers) is 202.17 g/mol.
Where can I buy Calamenene (mixed isomers)?
You can request a quote for Calamenene (mixed isomers) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calamenene (mixed isomers)?
Yes, KEHONG BIO provides custom synthesis services for Calamenene (mixed isomers) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.