![3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione structure](/static/products/102/1022709-90-5.png)
3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
TL;DR: 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022709-90-5) is a chemical compound with molecular formula C24H17ClFN3O6 and molecular weight 497.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C24H17ClFN3O6 |
|---|---|
| Molecular Weight | 497.08 g/mol |
| LogP | 4.447 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.07898 |
| Heavy Atoms | 35 |
| Complexity | 1348.3411 |
Chemical Identifiers
| CAS Number | 1022709-90-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=CC=C5Cl)F |
Product Overview
3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022709-90-5), with molecular formula C24H17ClFN3O6 and molecular weight 497.08 g/mol. IUPAC: 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Property Insights of 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
The XLogP value of 4.447 indicates that 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-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 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The CAS number of 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1022709-90-5.
What is the molecular formula of 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The molecular formula of 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C24H17ClFN3O6.
What is the molecular weight of 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The molecular weight of 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 497.08 g/mol.
Where can I buy 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
You can request a quote for 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloro-6-fluorophenyl)-5-(3-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.