![5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/1005/1005085-16-4.webp)
5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005085-16-4) is a chemical compound with molecular formula C21H19Cl3N2O3 and molecular weight 452.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, F1412-0014, 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-butyl-7-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
| Molecular Formula | C21H19Cl3N2O3 |
|---|---|
| Molecular Weight | 452.05 g/mol |
| LogP | 5.2934 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.0461 |
| Heavy Atoms | 29 |
| Complexity | 950.68756 |
Chemical Identifiers
| CAS Number | 1005085-16-4 |
|---|---|
| SMILES | CCCCN1C(=O)C2C(N(OC2C1=O)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005085-16-4), with molecular formula C21H19Cl3N2O3 and molecular weight 452.05 g/mol. IUPAC: 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 5.2934 indicates that 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)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. With a topological polar surface area (TPSA) of 49.85 Ų, 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1005085-16-4.
What is the molecular formula of 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C21H19Cl3N2O3.
What is the molecular weight of 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 452.05 g/mol.
Where can I buy 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 5-butyl-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)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.