3',4'-Dihydroxyetoposide
TL;DR: 3',4'-Dihydroxyetoposide (CAS 113566-41-9) is a chemical compound with molecular formula C28H30O13 and molecular weight 574.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4-dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Also Known As: Etoposide catechol, 3',4'-Dihydroxyetoposide, 3'-O-Desmethyl Etoposide, VP-16 hydroquinone, Dhvp-16-213
| Molecular Formula | C28H30O13 |
|---|---|
| Molecular Weight | 574.17 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 574.16864 |
| Heavy Atoms | 41 |
| Complexity | 967.0 |
Chemical Identifiers
| CAS Number | 113566-41-9 |
|---|---|
| SMILES | C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)O)O)O |
| InChIKey | CYOJPLOJEPTJMM-FMEAWWTOSA-N |
Product Overview
3',4'-Dihydroxyetoposide (CAS 113566-41-9), with molecular formula C28H30O13 and molecular weight 574.17 g/mol. IUPAC: (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4-dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one.
Chemical Property Profile of 3',4'-Dihydroxyetoposide
Property Insights of 3',4'-Dihydroxyetoposide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3',4'-Dihydroxyetoposide. The TPSA of 172.0 Ų indicates high polarity, suggesting 3',4'-Dihydroxyetoposide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3',4'-Dihydroxyetoposide has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3',4'-Dihydroxyetoposide?
The CAS number of 3',4'-Dihydroxyetoposide is 113566-41-9.
What is the molecular formula of 3',4'-Dihydroxyetoposide?
The molecular formula of 3',4'-Dihydroxyetoposide is C28H30O13.
What is the molecular weight of 3',4'-Dihydroxyetoposide?
The molecular weight of 3',4'-Dihydroxyetoposide is 574.17 g/mol.
Where can I buy 3',4'-Dihydroxyetoposide?
You can request a quote for 3',4'-Dihydroxyetoposide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4'-Dihydroxyetoposide?
Yes, KEHONG BIO provides custom synthesis services for 3',4'-Dihydroxyetoposide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.