Desmotroposantonine, acetate
TL;DR: Desmotroposantonine, acetate (CAS 14794-71-9) is a chemical compound with molecular formula C17H20O4 and molecular weight 288.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,6,9-trimethyl-2-oxo-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-8-yl) acetate
Also Known As: DESMOTROPOSANTONINE, ACETATE, (-)-alpha-Desmotroposantonin acetate, (+)-beta-Desmotroposantonin acetate, (+).beta.-Desmotroposantonin acetate, (-).alpha.-Desmotroposantonin acetate
| Molecular Formula | C17H20O4 |
|---|---|
| Molecular Weight | 288.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.13617 |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 14794-71-9 |
|---|---|
| SMILES | CC1C2CCC3=C(C2OC1=O)C(=C(C=C3C)OC(=O)C)C |
| InChIKey | ZWPKGSNVVQTUMS-UHFFFAOYSA-N |
Product Overview
Desmotroposantonine, acetate (CAS 14794-71-9), with molecular formula C17H20O4 and molecular weight 288.14 g/mol. IUPAC: (3,6,9-trimethyl-2-oxo-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-8-yl) acetate.
Chemical Property Profile of Desmotroposantonine, acetate
Property Insights of Desmotroposantonine, acetate
The XLogP value of 3.1 indicates that Desmotroposantonine, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Desmotroposantonine, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desmotroposantonine, acetate has 0 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 Desmotroposantonine, acetate?
The CAS number of Desmotroposantonine, acetate is 14794-71-9.
What is the molecular formula of Desmotroposantonine, acetate?
The molecular formula of Desmotroposantonine, acetate is C17H20O4.
What is the molecular weight of Desmotroposantonine, acetate?
The molecular weight of Desmotroposantonine, acetate is 288.14 g/mol.
Where can I buy Desmotroposantonine, acetate?
You can request a quote for Desmotroposantonine, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmotroposantonine, acetate?
Yes, KEHONG BIO provides custom synthesis services for Desmotroposantonine, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.