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

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

TL;DR: 3-(4-ethoxyphenyl)-8-(4-methylphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1024304-35-5) is a chemical compound with molecular formula C26H24N2O4 and molecular weight 428.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

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

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

CAS: 1024304-35-5
Molecular Formula C26H24N2O4
Molecular Weight 428.17 g/mol
LogP 4.44482
Topological Polar Surface Area 59.08 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 428.1736
Heavy Atoms 32
Complexity 1128.7532

Chemical Identifiers

CAS Number 1024304-35-5
SMILES CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C

Product Overview

3-(4-ethoxyphenyl)-8-(4-methylphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1024304-35-5), with molecular formula C26H24N2O4 and molecular weight 428.17 g/mol. IUPAC: 5-(4-ethoxyphenyl)-3-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 3-(4-ethoxyphenyl)-8-(4-methylphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione

XLogP
4.44482
TPSA (Topological Polar Surface Area)
59.08
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
5
Heavy Atoms
32
Complexity
1128.7532
Exact Mass
428.1736
Monoisotopic Mass
428.1736
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-(4-ethoxyphenyl)-8-(4-methylphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione

The XLogP value of 4.44482 indicates that 3-(4-ethoxyphenyl)-8-(4-methylphenyl)-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. With a topological polar surface area (TPSA) of 59.08 Ų, 3-(4-ethoxyphenyl)-8-(4-methylphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-ethoxyphenyl)-8-(4-methylphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione has 0 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 typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
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Frequently Asked Questions

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

The CAS number of 3-(4-ethoxyphenyl)-8-(4-methylphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1024304-35-5.

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

The molecular formula of 3-(4-ethoxyphenyl)-8-(4-methylphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C26H24N2O4.

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

The molecular weight of 3-(4-ethoxyphenyl)-8-(4-methylphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 428.17 g/mol.

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

You can request a quote for 3-(4-ethoxyphenyl)-8-(4-methylphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 3-(4-ethoxyphenyl)-8-(4-methylphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?

Yes, KEHONG BIO provides custom synthesis services for 3-(4-ethoxyphenyl)-8-(4-methylphenyl)-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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