![methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate structure](/static/products/846/846586-65-0.png)
methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate
TL;DR: methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate (CAS 846586-65-0) is a chemical compound with molecular formula C25H21BrN2O4 and molecular weight 492.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Also Known As: methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate, methyl 4-[9-bromo-2-(3-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate, methyl 4-[9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
| Molecular Formula | C25H21BrN2O4 |
|---|---|
| Molecular Weight | 492.07 g/mol |
| LogP | 5.4866 |
| Topological Polar Surface Area | 60.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.06848 |
| Heavy Atoms | 32 |
| Complexity | 1208.8187 |
Chemical Identifiers
| CAS Number | 846586-65-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=C(C=C5)C(=O)OC |
Product Overview
methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate (CAS 846586-65-0), with molecular formula C25H21BrN2O4 and molecular weight 492.07 g/mol. IUPAC: methyl 4-[9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate.
Chemical Property Profile of methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate
Property Insights of methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate
The XLogP value of 5.4866 indicates that methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-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-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate?
The CAS number of methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate is 846586-65-0.
What is the molecular formula of methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate?
The molecular formula of methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate is C25H21BrN2O4.
What is the molecular weight of methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate?
The molecular weight of methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate is 492.07 g/mol.
Where can I buy methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate?
You can request a quote for methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-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-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(9-bromo-2-(3-methoxyphenyl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazin-5-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.