alpha-Elemene
TL;DR: alpha-Elemene (CAS 5951-67-7) 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.
(6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidenecyclohexene
Also Known As: alpha-Elemene, a-elemene, .alpha.-Elemene, ELEMENE, ALPHA, (+)-
| 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 | 2 |
| Exact Mass | 204.1878 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 5951-67-7 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C)C)CC[C@@]1(C)C=C |
| InChIKey | QDUJKDRUFBJYSQ-OAHLLOKOSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Elemene (CAS 5951-67-7), with molecular formula C15H24 and molecular weight 204.19 g/mol. IUPAC: (6S)-6-ethenyl-6-methyl-1-propan-2-yl-3-propan-2-ylidenecyclohexene.
Chemical Property Profile of alpha-Elemene
Property Insights of alpha-Elemene
The XLogP value of 5.0 indicates that alpha-Elemene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, alpha-Elemene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Elemene 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 alpha-Elemene?
The CAS number of alpha-Elemene is 5951-67-7.
What is the molecular formula of alpha-Elemene?
The molecular formula of alpha-Elemene is C15H24.
What is the molecular weight of alpha-Elemene?
The molecular weight of alpha-Elemene is 204.19 g/mol.
Where can I buy alpha-Elemene?
You can request a quote for alpha-Elemene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Elemene?
Yes, KEHONG BIO provides custom synthesis services for alpha-Elemene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.