6W-0847
TL;DR: 6W-0847 (CAS 866050-64-8) is a chemical compound with molecular formula C22H22N6O and molecular weight 386.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]-3,3-dimethylazetidin-2-one
Also Known As: 6W-0847, 1-[3-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]-3,3-dimethylazetidin-2-one, 1-{3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl}-3,3-dimethylazetidin-2-one, 1-{3-[2-(2,5-dimethyl-1H-pyrrol-1-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl}-3,3-dimethyl-2-azetanone, 1-(3-[2-(2,5-DIMETHYL-1H-PYRROL-1-YL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]PHENYL)-3,3-DIMETHYL-2-AZETANONE
| Molecular Formula | C22H22N6O |
|---|---|
| Molecular Weight | 386.19 g/mol |
| LogP | 3.57164 |
| Topological Polar Surface Area | 68.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.18552 |
| Heavy Atoms | 29 |
| Complexity | 1246.0422 |
Chemical Identifiers
| CAS Number | 866050-64-8 |
|---|---|
| SMILES | CC1=CC=C(N1C2=NN3C(=CC=NC3=N2)C4=CC(=CC=C4)N5CC(C5=O)(C)C)C |
Product Overview
6W-0847 (CAS 866050-64-8), with molecular formula C22H22N6O and molecular weight 386.19 g/mol. IUPAC: 1-[3-[2-(2,5-dimethylpyrrol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]-3,3-dimethylazetidin-2-one.
Chemical Property Profile of 6W-0847
Property Insights of 6W-0847
The XLogP value of 3.57164 indicates that 6W-0847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 6W-0847. Following Lipinski's Rule of Five, 6W-0847 has 0 hydrogen bond donor(s) and 4 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 6W-0847?
The CAS number of 6W-0847 is 866050-64-8.
What is the molecular formula of 6W-0847?
The molecular formula of 6W-0847 is C22H22N6O.
What is the molecular weight of 6W-0847?
The molecular weight of 6W-0847 is 386.19 g/mol.
Where can I buy 6W-0847?
You can request a quote for 6W-0847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6W-0847?
Yes, KEHONG BIO provides custom synthesis services for 6W-0847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.