9R-0026
TL;DR: 9R-0026 (CAS 439120-63-5) is a chemical compound with molecular formula C22H16N6OS2 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Also Known As: 9R-0026, 6-(2-[3-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-THIENYL]PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDIN-5-ONE, 6-[2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one, 6-{2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, 6-{2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]pyrazolo[1,5-a]pyrimidin-7-yl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
| Molecular Formula | C22H16N6OS2 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 4.60174 |
| Topological Polar Surface Area | 69.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.0827 |
| Heavy Atoms | 31 |
| Complexity | 1628.1211 |
Chemical Identifiers
| CAS Number | 439120-63-5 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=NN4C(=CC=NC4=C3)C5=CN=C6N(C5=O)C=CS6)C |
Product Overview
9R-0026 (CAS 439120-63-5), with molecular formula C22H16N6OS2 and molecular weight 444.08 g/mol. IUPAC: 6-[2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
Chemical Property Profile of 9R-0026
Property Insights of 9R-0026
The XLogP value of 4.60174 indicates that 9R-0026 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 9R-0026. Following Lipinski's Rule of Five, 9R-0026 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 9R-0026?
The CAS number of 9R-0026 is 439120-63-5.
What is the molecular formula of 9R-0026?
The molecular formula of 9R-0026 is C22H16N6OS2.
What is the molecular weight of 9R-0026?
The molecular weight of 9R-0026 is 444.08 g/mol.
Where can I buy 9R-0026?
You can request a quote for 9R-0026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9R-0026?
Yes, KEHONG BIO provides custom synthesis services for 9R-0026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.