Andalusol
TL;DR: Andalusol (CAS 6699-49-6) is a chemical compound with molecular formula C20H34O3 and molecular weight 322.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3S,4S,4aR,8S,8aS)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol
Also Known As: Andalusol, KST-1A7372, (1r,3s,4s,4ar,8s,8as)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-en-1-yl)decahydronaphthalene-1,3-diol, (1R,3S,4S,4aS,8S,8aR)-8-(Hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)decalin-1,3-diol, (1R,3S,4S,4aR,8S,8aS)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol
| Molecular Formula | C20H34O3 |
|---|---|
| Molecular Weight | 322.25 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.2508 |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 6699-49-6 |
|---|---|
| SMILES | C[C@@]1(CCC[C@@]2([C@@H]1[C@@H](C[C@]([C@H]2CCC(=C)C=C)(C)O)O)C)CO |
| InChIKey | ZKFWEINMPAYZON-FZWBFHRNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Andalusol (CAS 6699-49-6), with molecular formula C20H34O3 and molecular weight 322.25 g/mol. IUPAC: (1R,3S,4S,4aR,8S,8aS)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol.
Chemical Property Profile of Andalusol
Property Insights of Andalusol
The XLogP value of 4.2 indicates that Andalusol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Andalusol. Following Lipinski's Rule of Five, Andalusol has 3 hydrogen bond donor(s) and 3 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 Andalusol?
The CAS number of Andalusol is 6699-49-6.
What is the molecular formula of Andalusol?
The molecular formula of Andalusol is C20H34O3.
What is the molecular weight of Andalusol?
The molecular weight of Andalusol is 322.25 g/mol.
Where can I buy Andalusol?
You can request a quote for Andalusol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Andalusol?
Yes, KEHONG BIO provides custom synthesis services for Andalusol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.