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2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione structure
Fine Chemical

2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

TL;DR: 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1005241-11-1) is a chemical compound with molecular formula C22H17ClN2O4S and molecular weight 440.05975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

Also Known As: 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, F1248-0048, 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

CAS Number
1005241-11-1
Molecular Formula
C22H17ClN2O4S
Molecular Weight
440.05975 g/mol
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Technical Specifications

Molecular FormulaC22H17ClN2O4S
Molecular Weight440.05975 g/mol
XLogP4.4
Topological Polar Surface Area (TPSA)87.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds4
Exact Mass440.05975 Da
Heavy Atoms30
Complexity666.0
SMILESCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CS5
InChIKeyVOOMCSJTSLNGRL-UHFFFAOYSA-N

Chemical Property Profile of 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

XLogP
4.4
TPSA (Topological Polar Surface Area)
87.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
4
Heavy Atoms
30
Complexity
666.0
Exact Mass
440.05975
Monoisotopic Mass
440.05975
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 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

The XLogP value of 4.4 indicates that 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-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 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-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 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The CAS number of 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1005241-11-1.

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

The molecular formula of 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C22H17ClN2O4S.

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

The molecular weight of 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 440.05975 g/mol.

Where can I buy 2-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

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

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

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

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