![methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate structure](/static/products/1005/1005069-19-1.webp)
methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate
TL;DR: methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate (CAS 1005069-19-1) is a chemical compound with molecular formula C19H15BrN2O5 and molecular weight 430.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate
Also Known As: methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate, F1593-0048, methyl 4-[2-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate, methyl 4-[2-(4-bromophenyl)-4,6-dioxo-1,2,3,5,3a,6a-hexahydro-3-oxa-2,5-diazap entalenyl]benzoate, methyl 4-[2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate
| Molecular Formula | C19H15BrN2O5 |
|---|---|
| Molecular Weight | 430.02 g/mol |
| LogP | 2.3698 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.01642 |
| Heavy Atoms | 27 |
| Complexity | 912.7022 |
Chemical Identifiers
| CAS Number | 1005069-19-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3C(C(=O)NC3=O)ON2C4=CC=C(C=C4)Br |
Product Overview
methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate (CAS 1005069-19-1), with molecular formula C19H15BrN2O5 and molecular weight 430.02 g/mol. IUPAC: methyl 4-[2-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoate.
Chemical Property Profile of methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate
Property Insights of methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate
The XLogP value of 2.3698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
The CAS number of methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate is 1005069-19-1.
What is the molecular formula of methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
The molecular formula of methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate is C19H15BrN2O5.
What is the molecular weight of methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
The molecular weight of methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate is 430.02 g/mol.
Where can I buy methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
You can request a quote for methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-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-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2-(4-bromophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.