![5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/1005/1005262-61-2.webp)
5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005262-61-2) is a chemical compound with molecular formula C21H20ClN3O5 and molecular weight 429.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, F1457-0026, 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-butyl-5-(4-chlorophenyl)-6-(3-nitrophenyl)-2,4,5,6,3a,6a-hexahydro-4-oxa-2,5 -diazapentalene-1,3-dione
| Molecular Formula | C21H20ClN3O5 |
|---|---|
| Molecular Weight | 429.11 g/mol |
| LogP | 3.8948 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.10916 |
| Heavy Atoms | 30 |
| Complexity | 996.3913 |
Chemical Identifiers
| CAS Number | 1005262-61-2 |
|---|---|
| SMILES | CCCCN1C(=O)C2C(N(OC2C1=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005262-61-2), with molecular formula C21H20ClN3O5 and molecular weight 429.11 g/mol. IUPAC: 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 3.8948 indicates that 5-butyl-2-(4-chlorophenyl)-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 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 5-butyl-2-(4-chlorophenyl)-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 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1005262-61-2.
What is the molecular formula of 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C21H20ClN3O5.
What is the molecular weight of 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 429.11 g/mol.
Where can I buy 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 5-butyl-2-(4-chlorophenyl)-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 5-butyl-2-(4-chlorophenyl)-3-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-butyl-2-(4-chlorophenyl)-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.