![2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione structure](/static/products/1005/1005273-08-4.webp)
2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
TL;DR: 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione (CAS 1005273-08-4) is a chemical compound with molecular formula C18H14ClN3O5 and molecular weight 387.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-methyl-3-(4-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, AS-871/40976288, 2-(4-chlorophenyl)-5-methyl-3-(4-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-5-methyl-3-(4-nitrophenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, F1275-0043
| Molecular Formula | C18H14ClN3O5 |
|---|---|
| Molecular Weight | 387.06 g/mol |
| LogP | 2.7245 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.0622 |
| Heavy Atoms | 27 |
| Complexity | 931.0182 |
Chemical Identifiers
| CAS Number | 1005273-08-4 |
|---|---|
| SMILES | CN1C(=O)C2C(N(OC2C1=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione (CAS 1005273-08-4), with molecular formula C18H14ClN3O5 and molecular weight 387.06 g/mol. IUPAC: 2-(4-chlorophenyl)-5-methyl-3-(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-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
Property Insights of 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
The XLogP value of 2.7245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-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)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione?
The CAS number of 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione is 1005273-08-4.
What is the molecular formula of 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione?
The molecular formula of 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione is C18H14ClN3O5.
What is the molecular weight of 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione?
The molecular weight of 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione is 387.06 g/mol.
Where can I buy 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione?
You can request a quote for 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-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-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-3-{4-nitrophenyl}-5-methyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.