3,7(11)-Eudesmadiene
TL;DR: 3,7(11)-Eudesmadiene (CAS 6813-21-4) 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.
5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene
Also Known As: aristolochene, 3,7(11)-Eudesmadiene, Selina-3,7(11)-diene, 3,7(11)-Selinadiene, seli-3,7(11)-diene
| Molecular Formula | C15H24 |
|---|---|
| Molecular Weight | 204.19 g/mol |
| LogP | 4.4 |
| 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 | 315.0 |
Chemical Identifiers
| CAS Number | 6813-21-4 |
|---|---|
| SMILES | CC1=CCCC2(C1CC(=C(C)C)CC2)C |
| InChIKey | WNRBYZQFEBIUGD-UHFFFAOYSA-N |
Product Overview
3,7(11)-Eudesmadiene (CAS 6813-21-4), with molecular formula C15H24 and molecular weight 204.19 g/mol. IUPAC: 5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene.
Chemical Property Profile of 3,7(11)-Eudesmadiene
Property Insights of 3,7(11)-Eudesmadiene
The XLogP value of 4.4 indicates that 3,7(11)-Eudesmadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,7(11)-Eudesmadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7(11)-Eudesmadiene 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 3,7(11)-Eudesmadiene?
The CAS number of 3,7(11)-Eudesmadiene is 6813-21-4.
What is the molecular formula of 3,7(11)-Eudesmadiene?
The molecular formula of 3,7(11)-Eudesmadiene is C15H24.
What is the molecular weight of 3,7(11)-Eudesmadiene?
The molecular weight of 3,7(11)-Eudesmadiene is 204.19 g/mol.
Where can I buy 3,7(11)-Eudesmadiene?
You can request a quote for 3,7(11)-Eudesmadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7(11)-Eudesmadiene?
Yes, KEHONG BIO provides custom synthesis services for 3,7(11)-Eudesmadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.