11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione structure

11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione

TL;DR: 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione (CAS 851168-63-3) is a chemical compound with molecular formula C17H15N3O4 and molecular weight 325.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione

Also Known As: 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione, F2528-0001, 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione, 1,3-dimethyl-5-phenyl-5,9-dihydrofuro[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(1H,3H,8H)-trione, 1,3-dimethyl-5-phenyl-8,9-dihydrofuro[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(1H,3H,5H)-trione

CAS: 851168-63-3
Molecular Formula C17H15N3O4
Molecular Weight 325.11 g/mol
LogP 0.4523
Topological Polar Surface Area 82.33 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 1
Exact Mass 325.10626
Heavy Atoms 24
Complexity 1014.6117

Chemical Identifiers

CAS Number 851168-63-3
SMILES CN1C2=C(C(C3=C(N2)COC3=O)C4=CC=CC=C4)C(=O)N(C1=O)C

Product Overview

11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione (CAS 851168-63-3), with molecular formula C17H15N3O4 and molecular weight 325.11 g/mol. IUPAC: 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione.

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Chemical Property Profile of 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione

XLogP
0.4523
TPSA (Topological Polar Surface Area)
82.33
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
1
Heavy Atoms
24
Complexity
1014.6117
Exact Mass
325.10626
Monoisotopic Mass
325.10626
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 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione

The XLogP value of 0.4523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione. Following Lipinski's Rule of Five, 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione 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 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.
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Frequently Asked Questions

What is the CAS number of 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione?

The CAS number of 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione is 851168-63-3.

What is the molecular formula of 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione?

The molecular formula of 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione is C17H15N3O4.

What is the molecular weight of 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione?

The molecular weight of 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione is 325.11 g/mol.

Where can I buy 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione?

You can request a quote for 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione?

Yes, KEHONG BIO provides custom synthesis services for 11,13-dimethyl-8-phenyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0^{3,7}]trideca-1(9),3(7)-diene-6,10,12-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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