![ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate structure](/static/products/1005/1005040-51-6.webp)
ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
TL;DR: ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate (CAS 1005040-51-6) is a chemical compound with molecular formula C24H19ClN2O5S and molecular weight 482.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Also Known As: ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate, F1275-0020, ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate, ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-thien-2-ylhexahydro-5H-pyrrolo[3,4-d]isoxazol-5-yl]benzoate, ethyl 4-(2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoate
| Molecular Formula | C24H19ClN2O5S |
|---|---|
| Molecular Weight | 482.07 g/mol |
| LogP | 4.6293 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.0703 |
| Heavy Atoms | 33 |
| Complexity | 1196.6072 |
Chemical Identifiers
| CAS Number | 1005040-51-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CS5 |
Product Overview
ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate (CAS 1005040-51-6), with molecular formula C24H19ClN2O5S and molecular weight 482.07 g/mol. IUPAC: ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate.
Chemical Property Profile of ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Property Insights of ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
The XLogP value of 4.6293 indicates that ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate 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-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate has 0 hydrogen bond donor(s) and 7 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 ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate?
The CAS number of ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate is 1005040-51-6.
What is the molecular formula of ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate?
The molecular formula of ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate is C24H19ClN2O5S.
What is the molecular weight of ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate?
The molecular weight of ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate is 482.07 g/mol.
Where can I buy ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate?
You can request a quote for ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-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-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[2-(4-chlorophenyl)-4,6-dioxo-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.