![2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/1005/1005099-05-7.webp)
2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005099-05-7) is a chemical compound with molecular formula C25H21ClN4O5 and molecular weight 492.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-(4-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-(4-nitrophenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, F1312-0016, 2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-(4-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-5-(4-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C25H21ClN4O5 |
|---|---|
| Molecular Weight | 492.12 g/mol |
| LogP | 4.3653 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.12006 |
| Heavy Atoms | 35 |
| Complexity | 1294.9423 |
Chemical Identifiers
| CAS Number | 1005099-05-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])ON2C5=CC=C(C=C5)Cl |
Product Overview
2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005099-05-7), with molecular formula C25H21ClN4O5 and molecular weight 492.12 g/mol. IUPAC: 2-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-5-(4-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 4.3653 indicates that 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-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 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 7 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)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1005099-05-7.
What is the molecular formula of 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C25H21ClN4O5.
What is the molecular weight of 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 492.12 g/mol.
Where can I buy 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-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)-3-(4-(dimethylamino)phenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-3-(4-(dimethylamino)phenyl)-5-(4-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.