![2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/1005/1005053-10-0.webp)
2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005053-10-0) is a chemical compound with molecular formula C20H18ClN3O5 and molecular weight 415.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-(3-nitrophenyl)-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, F1457-0028, 2-(4-chlorophenyl)-3-(3-nitrophenyl)-5-(propan-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-3-(3-nitrophenyl)-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-3-(3-nitrophenyl)-5-(propan-2-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C20H18ClN3O5 |
|---|---|
| Molecular Weight | 415.09 g/mol |
| LogP | 3.5031 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.0935 |
| Heavy Atoms | 29 |
| Complexity | 993.86615 |
Chemical Identifiers
| CAS Number | 1005053-10-0 |
|---|---|
| SMILES | CC(C)N1C(=O)C2C(N(OC2C1=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005053-10-0), with molecular formula C20H18ClN3O5 and molecular weight 415.09 g/mol. IUPAC: 2-(4-chlorophenyl)-3-(3-nitrophenyl)-5-propan-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 3.5031 indicates that 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione 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 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1005053-10-0.
What is the molecular formula of 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C20H18ClN3O5.
What is the molecular weight of 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 415.09 g/mol.
Where can I buy 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-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 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-5-isopropyl-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.