![ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate structure](/static/products/3387/338792-98-6.webp)
ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate
TL;DR: ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate (CAS 338792-98-6) is a chemical compound with molecular formula C14H11ClN2O5 and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Also Known As: ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate, BAS 07804482, ethyl 5-(4-chlorophenyl)-4,6-dioxo-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate, A3563/0151131, ethyl 5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate
| Molecular Formula | C14H11ClN2O5 |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 1.1473 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.03564 |
| Heavy Atoms | 22 |
| Complexity | 684.9785 |
Chemical Identifiers
| CAS Number | 338792-98-6 |
|---|---|
| SMILES | CCOC(=O)C1=NOC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Cl |
Product Overview
ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate (CAS 338792-98-6), with molecular formula C14H11ClN2O5 and molecular weight 322.04 g/mol. IUPAC: ethyl 5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate.
Chemical Property Profile of ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate
Property Insights of ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate
The XLogP value of 1.1473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate?
The CAS number of ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate is 338792-98-6.
What is the molecular formula of ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate?
The molecular formula of ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate is C14H11ClN2O5.
What is the molecular weight of ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate?
The molecular weight of ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate is 322.04 g/mol.
Where can I buy ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate?
You can request a quote for ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-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 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.