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3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione structure
Fine Chemical

3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione

TL;DR: 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1022381-28-7) is a chemical compound with molecular formula C23H16Cl2N2O4 and molecular weight 454.0487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

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

CAS Number
1022381-28-7
Molecular Formula
C23H16Cl2N2O4
Molecular Weight
454.0487 g/mol
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Technical Specifications

Molecular FormulaC23H16Cl2N2O4
Molecular Weight454.0487 g/mol
XLogP4.9
Topological Polar Surface Area (TPSA)70.1 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors5
Rotatable Bonds3
Exact Mass454.0487 Da
Heavy Atoms31
Complexity685.0
SMILESC1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC(=CC(=C4)Cl)Cl)C5=CC=C(C=C5)O
InChIKeyRYLMNLLUZMAHIX-UHFFFAOYSA-N

Chemical Property Profile of 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione

XLogP
4.9
TPSA (Topological Polar Surface Area)
70.1
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
3
Heavy Atoms
31
Complexity
685.0
Exact Mass
454.0487
Monoisotopic Mass
454.0487
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 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione

The XLogP value of 4.9 indicates that 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione. Following Lipinski's Rule of Five, 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?

The CAS number of 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1022381-28-7.

What is the molecular formula of 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?

The molecular formula of 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C23H16Cl2N2O4.

What is the molecular weight of 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?

The molecular weight of 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 454.0487 g/mol.

Where can I buy 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?

You can request a quote for 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?

Yes, CoreyChem provides custom synthesis services for 3-(3,5-dichlorophenyl)-8-(4-hydroxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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