![[3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate structure](/static/products/7311/73113-91-4.webp)
[3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate
TL;DR: [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate (CAS 73113-91-4) is a chemical compound with molecular formula C31H31BrO13 and molecular weight 690.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate
Also Known As: [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate|[3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-meth|[4-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-oxan-3-yl] acetate|3-(Bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3,4-di-O-acetyl-2,6-dideoxyhexopyranoside
| Molecular Formula | C31H31BrO13 |
|---|---|
| Molecular Weight | 690.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 690.0948 |
| Heavy Atoms | 45 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 73113-91-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CBr)O)OC(=O)C)OC(=O)C |
| InChIKey | SDZNZDBERVFMKV-UHFFFAOYSA-N |
Product Overview
[3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate (CAS 73113-91-4), with molecular formula C31H31BrO13 and molecular weight 690.09 g/mol. IUPAC: [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate.
Chemical Property Profile of [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate
Property Insights of [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate
The XLogP value of 3.6 indicates that [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate has 3 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-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate?
The CAS number of [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate is 73113-91-4.
What is the molecular formula of [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate?
The molecular formula of [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate is C31H31BrO13.
What is the molecular weight of [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate?
The molecular weight of [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate is 690.09 g/mol.
Where can I buy [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate?
You can request a quote for [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-acetyloxy-6-[[3-(2-bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.