![ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate structure](/static/products/1005/1005038-54-9.webp)
ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate
TL;DR: ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate (CAS 1005038-54-9) is a chemical compound with molecular formula C28H26N2O7 and molecular weight 502.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Also Known As: ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate, F1275-0008, ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate, ethyl 4-(3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate, ETHYL 4-[3-(2,4-DIMETHOXYPHENYL)-4,6-DIOXO-2-PHENYL-HEXAHYDRO-2H-PYRROLO[3,4-D][1,2]OXAZOL-5-YL]BENZOATE
| Molecular Formula | C28H26N2O7 |
|---|---|
| Molecular Weight | 502.17 g/mol |
| LogP | 3.9316 |
| Topological Polar Surface Area | 94.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.174 |
| Heavy Atoms | 37 |
| Complexity | 1326.1172 |
Chemical Identifiers
| CAS Number | 1005038-54-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=C(C=C(C=C5)OC)OC |
Product Overview
ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate (CAS 1005038-54-9), with molecular formula C28H26N2O7 and molecular weight 502.17 g/mol. IUPAC: ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate.
Chemical Property Profile of ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate
Property Insights of ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate
The XLogP value of 3.9316 indicates that ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate?
The CAS number of ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate is 1005038-54-9.
What is the molecular formula of ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate?
The molecular formula of ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate is C28H26N2O7.
What is the molecular weight of ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate?
The molecular weight of ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate is 502.17 g/mol.
Where can I buy ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate?
You can request a quote for ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-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 ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[3-(2,4-dimethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.