![methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate structure](/static/products/672/672269-11-3.png)
methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
TL;DR: methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate (CAS 672269-11-3) is a chemical compound with molecular formula C22H16Br2N2O3S and molecular weight 545.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(7,9-dibromo-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)benzoate
Also Known As: methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate, methyl 4-(2,4-dibromo-9-(2-thienyl)-6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3-oxa zin-6-yl)benzoate, methyl 4-(7,9-dibromo-2-(thiophen-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate, methyl 4-(7,9-dibromo-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)benzoate
| Molecular Formula | C22H16Br2N2O3S |
|---|---|
| Molecular Weight | 545.92 g/mol |
| LogP | 6.302 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 545.92487 |
| Heavy Atoms | 30 |
| Complexity | 1145.9442 |
Chemical Identifiers
| CAS Number | 672269-11-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=CS4)C5=C(O2)C(=CC(=C5)Br)Br |
Product Overview
methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate (CAS 672269-11-3), with molecular formula C22H16Br2N2O3S and molecular weight 545.92 g/mol. IUPAC: methyl 4-(7,9-dibromo-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)benzoate.
Chemical Property Profile of methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Property Insights of methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
The XLogP value of 6.302 indicates that methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate has 0 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 methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate?
The CAS number of methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate is 672269-11-3.
What is the molecular formula of methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate?
The molecular formula of methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate is C22H16Br2N2O3S.
What is the molecular weight of methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate?
The molecular weight of methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate is 545.92 g/mol.
Where can I buy methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate?
You can request a quote for methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[7,9-dibromo-2-(thiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.