Absinthin
TL;DR: Absinthin (CAS 13624-21-0) is a chemical compound with molecular formula C30H40O6 and molecular weight 496.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.01,16.02,14.04,13.05,9.020,24]hexacosa-3,25-diene-7,22-dione
Also Known As: Absinthin, Absinthiin, Absynthin, Artemitin, (+)-absinthin
| Molecular Formula | C30H40O6 |
|---|---|
| Molecular Weight | 496.28 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 496.2825 |
| Heavy Atoms | 36 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 13624-21-0 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CC[C@]([C@@H]3[C@H]4[C@H]5C=C([C@@]6([C@H]4C(=C3[C@H]2OC1=O)C)[C@@H]5[C@@](CC[C@@H]7[C@@H]6OC(=O)[C@H]7C)(C)O)C)(C)O |
| InChIKey | PZHWYURJZAPXAN-ILOFNVQHSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Absinthin (CAS 13624-21-0), with molecular formula C30H40O6 and molecular weight 496.28 g/mol. IUPAC: (1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.01,16.02,14.04,13.05,9.020,24]hexacosa-3,25-diene-7,22-dione.
Chemical Property Profile of Absinthin
Property Insights of Absinthin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Absinthin. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Absinthin. Following Lipinski's Rule of Five, Absinthin has 2 hydrogen bond donor(s) and 6 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 Absinthin?
The CAS number of Absinthin is 13624-21-0.
What is the molecular formula of Absinthin?
The molecular formula of Absinthin is C30H40O6.
What is the molecular weight of Absinthin?
The molecular weight of Absinthin is 496.28 g/mol.
Where can I buy Absinthin?
You can request a quote for Absinthin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Absinthin?
Yes, KEHONG BIO provides custom synthesis services for Absinthin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.