(3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene
TL;DR: (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene (CAS 395070-76-5) 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.
(3aS,8aS)-6,8a-dimethyl-3-propan-2-ylidene-1,2,3a,4,5,8-hexahydroazulene
Also Known As: Dauca-4(11),8-diene, (+?)-Dauca-4(11),8-diene, J1.152.808B, (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene, azulene, 1,2,3,3a,4,7,8,8a-octahydro-3a,6-dimethyl-1-(1-methylethylidene)-, (3aS,8aS)-
| 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 | 395070-76-5 |
|---|---|
| SMILES | CC1=CC[C@@]2(CCC(=C(C)C)[C@H]2CC1)C |
| InChIKey | PRQLWQYYMJZORK-HUUCEWRRSA-N |
Product Overview
(3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene (CAS 395070-76-5), with molecular formula C15H24 and molecular weight 204.19 g/mol. IUPAC: (3aS,8aS)-6,8a-dimethyl-3-propan-2-ylidene-1,2,3a,4,5,8-hexahydroazulene.
Chemical Property Profile of (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene
Property Insights of (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene
The XLogP value of 4.4 indicates that (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene 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 (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene?
The CAS number of (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene is 395070-76-5.
What is the molecular formula of (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene?
The molecular formula of (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene is C15H24.
What is the molecular weight of (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene?
The molecular weight of (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene is 204.19 g/mol.
Where can I buy (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene?
You can request a quote for (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene?
Yes, KEHONG BIO provides custom synthesis services for (3aS,8aS)-6,8a-Dimethyl-3-(propan-2-ylidene)-1,2,3,3a,4,5,8,8a-octahydroazulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.