Guaiane
TL;DR: Guaiane (CAS 489-80-5) is a chemical compound with molecular formula C15H28 and molecular weight 208.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
Also Known As: guaiane, (1S,3aS,4S,7R,8aS)-7-isopropyl-1,4-dimethyldecahydroazulene, (1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-(propan-2-yl)decahydroazulene, (1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene, (1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-(propan-2-yl)-decahydroazulene
| Molecular Formula | C15H28 |
|---|---|
| Molecular Weight | 208.22 g/mol |
| LogP | 4.7409 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.2191 |
| Heavy Atoms | 15 |
| Complexity | 206.08385 |
Chemical Identifiers
| CAS Number | 489-80-5 |
|---|---|
| SMILES | C[C@H]1CC[C@H](C[C@@H]2[C@H]1CC[C@@H]2C)C(C)C |
Product Overview
Guaiane (CAS 489-80-5), with molecular formula C15H28 and molecular weight 208.22 g/mol. IUPAC: (1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene.
Chemical Property Profile of Guaiane
Property Insights of Guaiane
The XLogP value of 4.7409 indicates that Guaiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Guaiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guaiane 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 Guaiane?
The CAS number of Guaiane is 489-80-5.
What is the molecular formula of Guaiane?
The molecular formula of Guaiane is C15H28.
What is the molecular weight of Guaiane?
The molecular weight of Guaiane is 208.22 g/mol.
Where can I buy Guaiane?
You can request a quote for Guaiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guaiane?
Yes, KEHONG BIO provides custom synthesis services for Guaiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.