![ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate structure](/static/products/1005/1005108-98-4.webp)
ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
TL;DR: ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate (CAS 1005108-98-4) is a chemical compound with molecular formula C26H23N3O7S and molecular weight 521.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
Also Known As: ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate, F1275-0042, ethyl 4,5-dimethyl-2-(3-(4-nitrophenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate, ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
| Molecular Formula | C26H23N3O7S |
|---|---|
| Molecular Weight | 521.13 g/mol |
| LogP | 4.50094 |
| Topological Polar Surface Area | 119.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.1257 |
| Heavy Atoms | 37 |
| Complexity | 1403.5284 |
Chemical Identifiers
| CAS Number | 1005108-98-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate (CAS 1005108-98-4), with molecular formula C26H23N3O7S and molecular weight 521.13 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-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-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
Property Insights of ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
The XLogP value of 4.50094 indicates that ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-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 119.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-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-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate 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 ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate?
The CAS number of ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate is 1005108-98-4.
What is the molecular formula of ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate?
The molecular formula of ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate is C26H23N3O7S.
What is the molecular weight of ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate?
The molecular weight of ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate is 521.13 g/mol.
Where can I buy ethyl 4,5-dimethyl-2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-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-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-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-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-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-[3-(4-nitrophenyl)-4,6-dioxo-2-phenyl-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.