11R-0072
TL;DR: 11R-0072 (CAS 691868-70-9) is a chemical compound with molecular formula C17H11N5OS and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
Also Known As: 11R-0072, 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one, 12-{2-methylpyrazolo[1,5-a]pyrimidin-7-yl}-8-thia-1,10-diazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,9,11-pentaen-13-one, 12-{2-methylpyrazolo[1,5-a]pyrimidin-7-yl}-8-thia-1,10-diazatricyclo[7.4.0.0(2),?]trideca-2,4,6,9,11-pentaen-13-one
| Molecular Formula | C17H11N5OS |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 2.92732 |
| Topological Polar Surface Area | 64.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.06842 |
| Heavy Atoms | 24 |
| Complexity | 1297.081 |
Chemical Identifiers
| CAS Number | 691868-70-9 |
|---|---|
| SMILES | CC1=NN2C(=CC=NC2=C1)C3=CN=C4N(C3=O)C5=CC=CC=C5S4 |
Product Overview
11R-0072 (CAS 691868-70-9), with molecular formula C17H11N5OS and molecular weight 333.07 g/mol. IUPAC: 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one.
Chemical Property Profile of 11R-0072
Property Insights of 11R-0072
The XLogP value of 2.92732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11R-0072. The TPSA of 64.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 11R-0072. Following Lipinski's Rule of Five, 11R-0072 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 11R-0072?
The CAS number of 11R-0072 is 691868-70-9.
What is the molecular formula of 11R-0072?
The molecular formula of 11R-0072 is C17H11N5OS.
What is the molecular weight of 11R-0072?
The molecular weight of 11R-0072 is 333.07 g/mol.
Where can I buy 11R-0072?
You can request a quote for 11R-0072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11R-0072?
Yes, KEHONG BIO provides custom synthesis services for 11R-0072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.