![methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate structure](/static/products/5870/587012-14-4.webp)
methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
TL;DR: methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate (CAS 587012-14-4) is a chemical compound with molecular formula C23H19BrN2O4 and molecular weight 466.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[9-bromo-2-(5-methylfuran-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Also Known As: methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate, methyl 4-(9-bromo-2-(5-methylfuran-2-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate, methyl 4-[2-bromo-9-(5-methyl(2-furyl))-6H,10aH-benzo[e]2-pyrazolino[1,5-c]1,3 -oxazin-6-yl]benzoate, methyl 4-[9-bromo-2-(5-methylfuran-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate, methyl 4-[9-bromo-2-(5-methylfuran-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
| Molecular Formula | C23H19BrN2O4 |
|---|---|
| Molecular Weight | 466.05 g/mol |
| LogP | 5.37942 |
| Topological Polar Surface Area | 64.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.05283 |
| Heavy Atoms | 30 |
| Complexity | 1152.2648 |
Chemical Identifiers
| CAS Number | 587012-14-4 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=C(C=C5)C(=O)OC |
Product Overview
methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate (CAS 587012-14-4), with molecular formula C23H19BrN2O4 and molecular weight 466.05 g/mol. IUPAC: methyl 4-[9-bromo-2-(5-methylfuran-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate.
Chemical Property Profile of methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Property Insights of methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
The XLogP value of 5.37942 indicates that methyl 4-[9-bromo-2-(5-methyl-2-furyl)-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. The TPSA of 64.27 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[9-bromo-2-(5-methyl-2-furyl)-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-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate?
The CAS number of methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate is 587012-14-4.
What is the molecular formula of methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate?
The molecular formula of methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate is C23H19BrN2O4.
What is the molecular weight of methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate?
The molecular weight of methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate is 466.05 g/mol.
Where can I buy methyl 4-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate?
You can request a quote for methyl 4-[9-bromo-2-(5-methyl-2-furyl)-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-[9-bromo-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[9-bromo-2-(5-methyl-2-furyl)-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.