![6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid structure](/static/products/672/672276-97-0.png)
6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid
TL;DR: 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid (CAS 672276-97-0) is a chemical compound with molecular formula C26H21BrN2O7 and molecular weight 552.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(1,3-benzodioxol-5-yl)-9-bromo-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid
Also Known As: 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid, 6-[2-(1,3-benzodioxol-5-yl)-9-bromo-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid, 6-[2-(1,3-benzodioxol-5-yl)-9-bromo-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid
| Molecular Formula | C26H21BrN2O7 |
|---|---|
| Molecular Weight | 552.05 g/mol |
| LogP | 5.1355 |
| Topological Polar Surface Area | 99.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 552.0532 |
| Heavy Atoms | 36 |
| Complexity | 1423.6418 |
Chemical Identifiers
| CAS Number | 672276-97-0 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC5=C(C=C4)OCO5)C6=C(O2)C=CC(=C6)Br)C(=O)O)OC |
Product Overview
6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid (CAS 672276-97-0), with molecular formula C26H21BrN2O7 and molecular weight 552.05 g/mol. IUPAC: 6-[2-(1,3-benzodioxol-5-yl)-9-bromo-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid.
Chemical Property Profile of 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid
Property Insights of 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid
The XLogP value of 5.1355 indicates that 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid. Following Lipinski's Rule of Five, 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid?
The CAS number of 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid is 672276-97-0.
What is the molecular formula of 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid?
The molecular formula of 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid is C26H21BrN2O7.
What is the molecular weight of 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid?
The molecular weight of 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid is 552.05 g/mol.
Where can I buy 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid?
You can request a quote for 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-(benzo[d][1,3]dioxol-5-yl)-9-bromo-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.