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5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione structure
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5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

TL;DR: 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1023863-59-3) is a chemical compound with molecular formula C23H16ClN3O5 and molecular weight 449.07785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Also Known As: 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(3-chlorophenyl)-8-(2-nitrophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

CAS Number
1023863-59-3
Molecular Formula
C23H16ClN3O5
Molecular Weight
449.07785 g/mol
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Technical Specifications

Molecular FormulaC23H16ClN3O5
Molecular Weight449.07785 g/mol
XLogP4.5
Topological Polar Surface Area (TPSA)95.7 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds3
Exact Mass449.07785 Da
Heavy Atoms32
Complexity754.0
SMILESC1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C5=CC=CC=C5[N+](=O)[O-]
InChIKeyLCMWRHVBRKMAMK-UHFFFAOYSA-N

Chemical Property Profile of 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

XLogP
4.5
TPSA (Topological Polar Surface Area)
95.7
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
3
Heavy Atoms
32
Complexity
754.0
Exact Mass
449.07785
Monoisotopic Mass
449.07785
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

The XLogP value of 4.5 indicates that 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-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

What is the CAS number of 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?

The CAS number of 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1023863-59-3.

What is the molecular formula of 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?

The molecular formula of 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C23H16ClN3O5.

What is the molecular weight of 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?

The molecular weight of 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 449.07785 g/mol.

Where can I buy 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?

You can request a quote for 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?

Yes, CoreyChem provides custom synthesis services for 5-(3-chlorophenyl)-3-(2-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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