![ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate structure](/static/products/1005/1005074-01-0.webp)
ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
TL;DR: ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate (CAS 1005074-01-0) is a chemical compound with molecular formula C28H28N2O5S and molecular weight 504.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
Also Known As: ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate, F1312-0028, ethyl 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5-dimethylthiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
| Molecular Formula | C28H28N2O5S |
|---|---|
| Molecular Weight | 504.17 g/mol |
| LogP | 5.20958 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.1719 |
| Heavy Atoms | 36 |
| Complexity | 1362.7596 |
Chemical Identifiers
| CAS Number | 1005074-01-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4C)C5=CC=C(C=C5)C |
Product Overview
ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate (CAS 1005074-01-0), with molecular formula C28H28N2O5S and molecular weight 504.17 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
Property Insights of ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
The XLogP value of 5.20958 indicates that ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate?
The CAS number of ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate is 1005074-01-0.
What is the molecular formula of ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate?
The molecular formula of ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate is C28H28N2O5S.
What is the molecular weight of ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate?
The molecular weight of ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate is 504.17 g/mol.
Where can I buy ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate?
You can request a quote for ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.