9R-0029
TL;DR: 9R-0029 (CAS 866143-94-4) is a chemical compound with molecular formula C22H18N6OS2 and molecular weight 446.10 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]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Also Known As: 9R-0029, 6-{2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]pyrazolo[1,5-a]pyrimidin-7-yl}-2,3-dihydro-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]-2,3-dihydro-[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}-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
| Molecular Formula | C22H18N6OS2 |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 4.19474 |
| Topological Polar Surface Area | 70.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.09836 |
| Heavy Atoms | 31 |
| Complexity | 1503.3259 |
Chemical Identifiers
| CAS Number | 866143-94-4 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=NN4C(=CC=NC4=C3)C5=CN=C6N(C5=O)CCS6)C |
Product Overview
9R-0029 (CAS 866143-94-4), with molecular formula C22H18N6OS2 and molecular weight 446.10 g/mol. IUPAC: 6-[2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
Chemical Property Profile of 9R-0029
Property Insights of 9R-0029
The XLogP value of 4.19474 indicates that 9R-0029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 9R-0029. Following Lipinski's Rule of Five, 9R-0029 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-0029?
The CAS number of 9R-0029 is 866143-94-4.
What is the molecular formula of 9R-0029?
The molecular formula of 9R-0029 is C22H18N6OS2.
What is the molecular weight of 9R-0029?
The molecular weight of 9R-0029 is 446.10 g/mol.
Where can I buy 9R-0029?
You can request a quote for 9R-0029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9R-0029?
Yes, KEHONG BIO provides custom synthesis services for 9R-0029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.