6T-0858
TL;DR: 6T-0858 (CAS 866049-91-4) is a chemical compound with molecular formula C16H15N5O2 and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-11-(4-nitrophenyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
Also Known As: 6T-0858, 2-methyl-7-(4-nitrophenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine, 4-methyl-11-(4-nitrophenyl)-2,3,7,11-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7-tetraene, 4-methyl-11-(4-nitrophenyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
| Molecular Formula | C16H15N5O2 |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 2.50862 |
| Topological Polar Surface Area | 76.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.1226 |
| Heavy Atoms | 23 |
| Complexity | 900.7246 |
Chemical Identifiers
| CAS Number | 866049-91-4 |
|---|---|
| SMILES | CC1=NN2C3=C(CN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C=NC2=C1 |
Product Overview
6T-0858 (CAS 866049-91-4), with molecular formula C16H15N5O2 and molecular weight 309.12 g/mol. IUPAC: 4-methyl-11-(4-nitrophenyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene.
Chemical Property Profile of 6T-0858
Property Insights of 6T-0858
The XLogP value of 2.50862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6T-0858. The TPSA of 76.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 6T-0858. Following Lipinski's Rule of Five, 6T-0858 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 6T-0858?
The CAS number of 6T-0858 is 866049-91-4.
What is the molecular formula of 6T-0858?
The molecular formula of 6T-0858 is C16H15N5O2.
What is the molecular weight of 6T-0858?
The molecular weight of 6T-0858 is 309.12 g/mol.
Where can I buy 6T-0858?
You can request a quote for 6T-0858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6T-0858?
Yes, KEHONG BIO provides custom synthesis services for 6T-0858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.