![4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione structure](/static/products/3346/334668-86-9.webp)
4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione
TL;DR: 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione (CAS 334668-86-9) is a chemical compound with molecular formula C17H13ClN4O4 and molecular weight 372.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione
Also Known As: 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione, 2-(4-Chlorophenyl)-5,6,8-trimethyl[1,3]oxazolo[5',4':4,5]pyrido[2,3-d]pyrimidine-4,7,9(5H,6H,8H)-trione
| Molecular Formula | C17H13ClN4O4 |
|---|---|
| Molecular Weight | 372.06 g/mol |
| LogP | 1.3975 |
| Topological Polar Surface Area | 92.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.06253 |
| Heavy Atoms | 26 |
| Complexity | 1373.3958 |
Chemical Identifiers
| CAS Number | 334668-86-9 |
|---|---|
| SMILES | CN1C2=C(C3=C(C1=O)N=C(O3)C4=CC=C(C=C4)Cl)C(=O)N(C(=O)N2C)C |
Product Overview
4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione (CAS 334668-86-9), with molecular formula C17H13ClN4O4 and molecular weight 372.06 g/mol. IUPAC: 4-(4-chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione.
Chemical Property Profile of 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione
Property Insights of 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione
The XLogP value of 1.3975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione. The TPSA of 92.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione 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
Frequently Asked Questions
What is the CAS number of 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione?
The CAS number of 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione is 334668-86-9.
What is the molecular formula of 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione?
The molecular formula of 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione is C17H13ClN4O4.
What is the molecular weight of 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione?
The molecular weight of 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione is 372.06 g/mol.
Where can I buy 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione?
You can request a quote for 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-8,10,12-trimethyl-3-oxa-5,8,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4-triene-7,11,13-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.