Daphneticin
TL;DR: Daphneticin (CAS 83327-22-4) is a chemical compound with molecular formula C20H18O8 and molecular weight 386.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Also Known As: Daphneticin, Iso-Daphnetin, daphnetin, (2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one, 9H-Pyrano(2,3-f)-1,4-benzodioxin-9-one, 2,3-dihydro-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-, (2R,3R)-
| Molecular Formula | C20H18O8 |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.10016 |
| Heavy Atoms | 28 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 83327-22-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H](OC3=C(O2)C=CC4=C3OC(=O)C=C4)CO |
| InChIKey | QLFQDIADUIVNRF-CRAIPNDOSA-N |
Product Overview
Daphneticin (CAS 83327-22-4), with molecular formula C20H18O8 and molecular weight 386.10 g/mol. IUPAC: (2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one.
Chemical Property Profile of Daphneticin
Property Insights of Daphneticin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daphneticin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Daphneticin. Following Lipinski's Rule of Five, Daphneticin has 2 hydrogen bond donor(s) and 8 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 Daphneticin?
The CAS number of Daphneticin is 83327-22-4.
What is the molecular formula of Daphneticin?
The molecular formula of Daphneticin is C20H18O8.
What is the molecular weight of Daphneticin?
The molecular weight of Daphneticin is 386.10 g/mol.
Where can I buy Daphneticin?
You can request a quote for Daphneticin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daphneticin?
Yes, KEHONG BIO provides custom synthesis services for Daphneticin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.