Atractyliretin
TL;DR: Atractyliretin (CAS 110990-68-6) is a chemical compound with molecular formula C19H28O4 and molecular weight 320.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5R,7R,9R,10R,13S,14R)-14-formyl-7-hydroxy-9-methyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Also Known As: Atractyliretin, (-)-Atractylliretin, 19-Norkauran-18-oicacid, 2-hydroxy-17-oxo-, (2beta,4alpha,16alpha)-
| Molecular Formula | C19H28O4 |
|---|---|
| Molecular Weight | 320.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.19876 |
| Heavy Atoms | 23 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 110990-68-6 |
|---|---|
| SMILES | C[C@@]12C[C@@H](C[C@H]([C@H]1CCC34[C@H]2CC[C@@H](C3)[C@@H](C4)C=O)C(=O)O)O |
| InChIKey | ZIYOPAJORMZIKJ-SGYYOSLQSA-N |
Product Overview
Atractyliretin (CAS 110990-68-6), with molecular formula C19H28O4 and molecular weight 320.20 g/mol. IUPAC: (4R,5R,7R,9R,10R,13S,14R)-14-formyl-7-hydroxy-9-methyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
Chemical Property Profile of Atractyliretin
Property Insights of Atractyliretin
The XLogP value of 3.0 indicates that Atractyliretin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Atractyliretin. Following Lipinski's Rule of Five, Atractyliretin has 2 hydrogen bond donor(s) and 4 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 Atractyliretin?
The CAS number of Atractyliretin is 110990-68-6.
What is the molecular formula of Atractyliretin?
The molecular formula of Atractyliretin is C19H28O4.
What is the molecular weight of Atractyliretin?
The molecular weight of Atractyliretin is 320.20 g/mol.
Where can I buy Atractyliretin?
You can request a quote for Atractyliretin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atractyliretin?
Yes, KEHONG BIO provides custom synthesis services for Atractyliretin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.