![3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/4447/444792-71-6.webp)
3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 444792-71-6) is a chemical compound with molecular formula C19H13ClN2O4 and molecular weight 368.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, AI-219/33980051, 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C19H13ClN2O4 |
|---|---|
| Molecular Weight | 368.06 g/mol |
| LogP | 2.77552 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.0564 |
| Heavy Atoms | 26 |
| Complexity | 950.50934 |
Chemical Identifiers
| CAS Number | 444792-71-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C(=O)C4=CC=C(C=C4)Cl |
Product Overview
3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 444792-71-6), with molecular formula C19H13ClN2O4 and molecular weight 368.06 g/mol. IUPAC: 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 2.77552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-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-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-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-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 444792-71-6.
What is the molecular formula of 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C19H13ClN2O4.
What is the molecular weight of 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 368.06 g/mol.
Where can I buy 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-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-(4-chlorobenzoyl)-5-(4-methylphenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorobenzoyl)-5-(4-methylphenyl)-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.