6T-0857
TL;DR: 6T-0857 (CAS 685109-52-8) is a chemical compound with molecular formula C25H22N6O2S and molecular weight 470.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-11-(4-nitrophenyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
Also Known As: 6T-0857, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-(4-nitrophenyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine, 4-[3-(2,5-Dimethylpyrrol-1-yl)thiophen-2-yl]-11-(4-nitrophenyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene, 4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-11-(4-nitrophenyl)-2,3,7,11-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7-tetraene
| Molecular Formula | C25H22N6O2S |
|---|---|
| Molecular Weight | 470.15 g/mol |
| LogP | 5.33624 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.1525 |
| Heavy Atoms | 34 |
| Complexity | 1526.193 |
Chemical Identifiers
| CAS Number | 685109-52-8 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=NN4C5=C(CN(CC5)C6=CC=C(C=C6)[N+](=O)[O-])C=NC4=C3)C |
Product Overview
6T-0857 (CAS 685109-52-8), with molecular formula C25H22N6O2S and molecular weight 470.15 g/mol. IUPAC: 4-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-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-0857
Property Insights of 6T-0857
The XLogP value of 5.33624 indicates that 6T-0857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6T-0857. Following Lipinski's Rule of Five, 6T-0857 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6T-0857?
The CAS number of 6T-0857 is 685109-52-8.
What is the molecular formula of 6T-0857?
The molecular formula of 6T-0857 is C25H22N6O2S.
What is the molecular weight of 6T-0857?
The molecular weight of 6T-0857 is 470.15 g/mol.
Where can I buy 6T-0857?
You can request a quote for 6T-0857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6T-0857?
Yes, KEHONG BIO provides custom synthesis services for 6T-0857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.