![6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid structure](/static/products/487/487018-74-6.png)
6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid
TL;DR: 6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid (CAS 487018-74-6) is a chemical compound with molecular formula C23H19BrN2O5S and molecular weight 514.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(9-bromo-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)-2,3-dimethoxybenzoic acid
Also Known As: 6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid, 6-(9-bromo-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)-2,3-dimethoxybenzoic acid, 6-[9-bromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid
| Molecular Formula | C23H19BrN2O5S |
|---|---|
| Molecular Weight | 514.02 g/mol |
| LogP | 5.4683 |
| Topological Polar Surface Area | 80.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.01984 |
| Heavy Atoms | 32 |
| Complexity | 1227.3748 |
Chemical Identifiers
| CAS Number | 487018-74-6 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=C(O2)C=CC(=C5)Br)C(=O)O)OC |
Product Overview
6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid (CAS 487018-74-6), with molecular formula C23H19BrN2O5S and molecular weight 514.02 g/mol. IUPAC: 6-(9-bromo-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)-2,3-dimethoxybenzoic acid.
Chemical Property Profile of 6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid
Property Insights of 6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid
The XLogP value of 5.4683 indicates that 6-(9-bromo-2-(thiophen-2-yl)-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 80.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(9-bromo-2-(thiophen-2-yl)-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-(9-bromo-2-(thiophen-2-yl)-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 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid?
The CAS number of 6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid is 487018-74-6.
What is the molecular formula of 6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid?
The molecular formula of 6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid is C23H19BrN2O5S.
What is the molecular weight of 6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid?
The molecular weight of 6-(9-bromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)-2,3-dimethoxybenzoic acid is 514.02 g/mol.
Where can I buy 6-(9-bromo-2-(thiophen-2-yl)-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-(9-bromo-2-(thiophen-2-yl)-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-(9-bromo-2-(thiophen-2-yl)-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-(9-bromo-2-(thiophen-2-yl)-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.