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

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

TL;DR: 5-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1005105-99-6) is a chemical compound with molecular formula C25H21ClN2O5 and molecular weight 464.1139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

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

CAS Number
1005105-99-6
Molecular Formula
C25H21ClN2O5
Molecular Weight
464.1139 g/mol
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Technical Specifications

Molecular FormulaC25H21ClN2O5
Molecular Weight464.1139 g/mol
XLogP4.6
Topological Polar Surface Area (TPSA)68.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds5
Exact Mass464.1139 Da
Heavy Atoms33
Complexity724.0
SMILESCOC1=CC(=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)ON2C5=CC=CC=C5)OC
InChIKeyCADHDHHYHAECGR-UHFFFAOYSA-N

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

XLogP
4.6
TPSA (Topological Polar Surface Area)
68.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
5
Heavy Atoms
33
Complexity
724.0
Exact Mass
464.1139
Monoisotopic Mass
464.1139
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-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

The XLogP value of 4.6 indicates that 5-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-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 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 5-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-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-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?

The CAS number of 5-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1005105-99-6.

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

The molecular formula of 5-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C25H21ClN2O5.

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

The molecular weight of 5-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 464.1139 g/mol.

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

You can request a quote for 5-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-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-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?

Yes, CoreyChem provides custom synthesis services for 5-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-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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