Etopophos
TL;DR: Etopophos (CAS 117091-64-2) is a chemical compound with molecular formula C29H33O16P and molecular weight 668.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate
Also Known As: Etopophos, Etopofos, Etophos, ETOPOSIDE PHOSPHATE, Etoposide Phosphonate
| Molecular Formula | C29H33O16P |
|---|---|
| Molecular Weight | 668.15 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 668.15063 |
| Heavy Atoms | 46 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 117091-64-2 |
|---|---|
| SMILES | CC1OCC2C(O1)C(C(C(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)OP(=O)(O)O)OC)O)O |
| InChIKey | LIQODXNTTZAGID-GDAYZDJCSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etopophos (CAS 117091-64-2), with molecular formula C29H33O16P and molecular weight 668.15 g/mol. IUPAC: [4-[(5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate.
Chemical Property Profile of Etopophos
Property Insights of Etopophos
The XLogP value of -0.7 indicates that Etopophos is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting Etopophos may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Etopophos has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Etopophos?
The CAS number of Etopophos is 117091-64-2.
What is the molecular formula of Etopophos?
The molecular formula of Etopophos is C29H33O16P.
What is the molecular weight of Etopophos?
The molecular weight of Etopophos is 668.15 g/mol.
Where can I buy Etopophos?
You can request a quote for Etopophos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etopophos?
Yes, KEHONG BIO provides custom synthesis services for Etopophos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.