![2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate structure](/static/products/1024/1024348-99-9.webp)
2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
TL;DR: 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate (CAS 1024348-99-9) is a chemical compound with molecular formula C32H25N3O8 and molecular weight 579.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate
Also Known As: 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate, [2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate, 2-methoxy-4-(2-(3-nitrophenyl)-4,6-dioxo-5-(p-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate
| Molecular Formula | C32H25N3O8 |
|---|---|
| Molecular Weight | 579.16 g/mol |
| LogP | 5.18212 |
| Topological Polar Surface Area | 128.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 579.1642 |
| Heavy Atoms | 43 |
| Complexity | 1741.4915 |
Chemical Identifiers
| CAS Number | 1024348-99-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC(=C(C=C5)OC(=O)C6=CC=CC=C6)OC |
Product Overview
2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate (CAS 1024348-99-9), with molecular formula C32H25N3O8 and molecular weight 579.16 g/mol. IUPAC: [2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate.
Chemical Property Profile of 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
Property Insights of 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
The XLogP value of 5.18212 indicates that 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate. Following Lipinski's Rule of Five, 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate?
The CAS number of 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate is 1024348-99-9.
What is the molecular formula of 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate?
The molecular formula of 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate is C32H25N3O8.
What is the molecular weight of 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate?
The molecular weight of 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate is 579.16 g/mol.
Where can I buy 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate?
You can request a quote for 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxy-4-[5-(4-methylphenyl)-2-(3-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.