Thebainequinone
TL;DR: Thebainequinone (CAS 2725-90-8) is a chemical compound with molecular formula C25H25NO5 and molecular weight 419.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,15-dimethoxy-5-methyl-13-oxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,18,22-pentaene-17,20-dione
Also Known As: Thebainequinone, 8,10-dimethoxy-2-methyl-1,2,3,4,9a,10,10a,14a-octahydro-10,14b-etheno-1,5-methano[1]benzofuro[3,2-e]benzo[h]isoquinoline-11,14-dione
| Molecular Formula | C25H25NO5 |
|---|---|
| Molecular Weight | 419.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.17328 |
| Heavy Atoms | 31 |
| Complexity | 944.0 |
Chemical Identifiers
| CAS Number | 2725-90-8 |
|---|---|
| SMILES | CN1CCC23C4C5(C=CC2(C1CC6=C3C(=C(C=C6)OC)O4)C7C5C(=O)C=CC7=O)OC |
| InChIKey | OXQUEEHDFKQXGG-UHFFFAOYSA-N |
Product Overview
Thebainequinone (CAS 2725-90-8), with molecular formula C25H25NO5 and molecular weight 419.17 g/mol. IUPAC: 11,15-dimethoxy-5-methyl-13-oxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,18,22-pentaene-17,20-dione.
Chemical Property Profile of Thebainequinone
Property Insights of Thebainequinone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thebainequinone. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Thebainequinone. Following Lipinski's Rule of Five, Thebainequinone has 0 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 Thebainequinone?
The CAS number of Thebainequinone is 2725-90-8.
What is the molecular formula of Thebainequinone?
The molecular formula of Thebainequinone is C25H25NO5.
What is the molecular weight of Thebainequinone?
The molecular weight of Thebainequinone is 419.17 g/mol.
Where can I buy Thebainequinone?
You can request a quote for Thebainequinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thebainequinone?
Yes, KEHONG BIO provides custom synthesis services for Thebainequinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.