![4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione structure](/static/products/3297/329761-96-8.webp)
4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione
TL;DR: 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione (CAS 329761-96-8) is a chemical compound with molecular formula C17H13N5O5 and molecular weight 367.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,8-trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione
Also Known As: 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione, 2,4,5-Trimethyl-10-nitrobenzo[b]pyrimido[4,5-h][1,6]naphthyridine-1,3,6(2H,4H,5H)-trione
| Molecular Formula | C17H13N5O5 |
|---|---|
| Molecular Weight | 367.09 g/mol |
| LogP | 0.5455 |
| Topological Polar Surface Area | 122.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 367.09167 |
| Heavy Atoms | 27 |
| Complexity | 1492.4078 |
Chemical Identifiers
| CAS Number | 329761-96-8 |
|---|---|
| SMILES | CN1C2=C(C3=C(C1=O)C=C4C=CC(=CC4=N3)[N+](=O)[O-])C(=O)N(C(=O)N2C)C |
Product Overview
4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione (CAS 329761-96-8), with molecular formula C17H13N5O5 and molecular weight 367.09 g/mol. IUPAC: 4,6,8-trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione.
Chemical Property Profile of 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione
Property Insights of 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione
The XLogP value of 0.5455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione. The TPSA of 122.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione. Following Lipinski's Rule of Five, 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione 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
Frequently Asked Questions
What is the CAS number of 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione?
The CAS number of 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione is 329761-96-8.
What is the molecular formula of 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione?
The molecular formula of 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione is C17H13N5O5.
What is the molecular weight of 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione?
The molecular weight of 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione is 367.09 g/mol.
Where can I buy 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione?
You can request a quote for 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione?
Yes, KEHONG BIO provides custom synthesis services for 4,6,8-Trimethyl-15-nitro-4,6,8,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),11,13,15,17-hexaene-3,5,9-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.