![2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid structure](/static/products/7226/7226-09-7.webp)
2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
TL;DR: 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid (CAS 7226-09-7) is a chemical compound with molecular formula C21H24Br2O7 and molecular weight 545.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-acetyloxy-6-bromo-6-(bromomethyl)-5-hydroxy-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
Also Known As: 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
| Molecular Formula | C21H24Br2O7 |
|---|---|
| Molecular Weight | 545.99 g/mol |
| LogP | 2.5703 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 545.9889 |
| Heavy Atoms | 30 |
| Complexity | 903.78577 |
Chemical Identifiers
| CAS Number | 7226-09-7 |
|---|---|
| SMILES | CC(=O)OC1C=CC23C4CCC5(CC4(CC5(CBr)Br)C(C2C1(C(=O)O3)C)C(=O)O)O |
Product Overview
2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid (CAS 7226-09-7), with molecular formula C21H24Br2O7 and molecular weight 545.99 g/mol. IUPAC: 12-acetyloxy-6-bromo-6-(bromomethyl)-5-hydroxy-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid.
Chemical Property Profile of 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
Property Insights of 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
The XLogP value of 2.5703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid. Following Lipinski's Rule of Five, 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid?
The CAS number of 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid is 7226-09-7.
What is the molecular formula of 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid?
The molecular formula of 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid is C21H24Br2O7.
What is the molecular weight of 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid?
The molecular weight of 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid is 545.99 g/mol.
Where can I buy 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid?
You can request a quote for 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetyloxy)-8-bromo-8-(bromomethyl)-7-hydroxy-1-methyl-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.