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3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione structure
Fine Chemical

3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione

TL;DR: 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1022771-21-6) is a chemical compound with molecular formula C23H20N2O4S and molecular weight 420.11438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

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

CAS Number
1022771-21-6
Molecular Formula
C23H20N2O4S
Molecular Weight
420.11438 g/mol
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Technical Specifications

Molecular FormulaC23H20N2O4S
Molecular Weight420.11438 g/mol
XLogP4.1
Topological Polar Surface Area (TPSA)87.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds5
Exact Mass420.11438 Da
Heavy Atoms30
Complexity655.0
SMILESCCOC1=CC=CC=C1N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CS5
InChIKeyPDRWURHQLPIHQI-UHFFFAOYSA-N

Chemical Property Profile of 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione

XLogP
4.1
TPSA (Topological Polar Surface Area)
87.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
5
Heavy Atoms
30
Complexity
655.0
Exact Mass
420.11438
Monoisotopic Mass
420.11438
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-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione

The XLogP value of 4.1 indicates that 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-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 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione. Following Lipinski's Rule of Five, 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-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 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?

The CAS number of 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1022771-21-6.

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

The molecular formula of 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C23H20N2O4S.

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

The molecular weight of 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 420.11438 g/mol.

Where can I buy 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?

You can request a quote for 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-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-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?

Yes, CoreyChem provides custom synthesis services for 3-(2-ethoxyphenyl)-7-phenyl-8-thiophen-2-yl-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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