![[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate structure](/static/products/7058/70580-76-6.webp)
[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate
TL;DR: [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate (CAS 70580-76-6) is a chemical compound with molecular formula C33H30F6N2O13 and molecular weight 776.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate
Also Known As: [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate|3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-O-acetyl-2,3,6-trideoxy-3,6-bis(2,2,2-trifluoroacetamido)hexopyranoside
| Molecular Formula | C33H30F6N2O13 |
|---|---|
| Molecular Weight | 776.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 776.1652 |
| Heavy Atoms | 54 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 70580-76-6 |
|---|---|
| SMILES | CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)CNC(=O)C(F)(F)F)OC(=O)C)NC(=O)C(F)(F)F)O |
| InChIKey | PCMNRVNIAJHDOZ-UHFFFAOYSA-N |
Product Overview
[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate (CAS 70580-76-6), with molecular formula C33H30F6N2O13 and molecular weight 776.17 g/mol. IUPAC: [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate.
Chemical Property Profile of [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate
Property Insights of [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate
The XLogP value of 3.8 indicates that [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 224.0 Ų indicates high polarity, suggesting [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate has 5 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate?
The CAS number of [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate is 70580-76-6.
What is the molecular formula of [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate?
The molecular formula of [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate is C33H30F6N2O13.
What is the molecular weight of [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate?
The molecular weight of [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate is 776.17 g/mol.
Where can I buy [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate?
You can request a quote for [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-4-[(2,2,2-trifluoroacetyl)amino]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]oxan-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.