![3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/4544/454473-68-8.webp)
3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 454473-68-8) is a chemical compound with molecular formula C13H9ClN2O4 and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-5-(4-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-acetyl-5-(4-chlorophenyl)-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-acetyl-5-(4-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, Methyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a- tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3- carboxylate, 3-Acetyl-5-(4-chlorophenyl)-3aH-pyrrolo3,4-disoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C13H9ClN2O4 |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 1.1732 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.0251 |
| Heavy Atoms | 20 |
| Complexity | 652.8399 |
Chemical Identifiers
| CAS Number | 454473-68-8 |
|---|---|
| SMILES | CC(=O)C1=NOC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Cl |
Product Overview
3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 454473-68-8), with molecular formula C13H9ClN2O4 and molecular weight 292.03 g/mol. IUPAC: 3-acetyl-5-(4-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 1.1732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. The TPSA of 76.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 5 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 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 454473-68-8.
What is the molecular formula of 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C13H9ClN2O4.
What is the molecular weight of 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 292.03 g/mol.
Where can I buy 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-5-(4-chlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.