8R-0041
TL;DR: 8R-0041 (CAS 866136-71-2) is a chemical compound with molecular formula C23H20N4OS2 and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Also Known As: 8R-0041, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-5-[(phenylsulfanyl)methyl]pyrazolo[1,5-a]pyrimidin-7-ol, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-5-[(phenylsulfanyl)methyl]pyrazolo[1,5-a]pyrimidin-7-ol, 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C23H20N4OS2 |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 5.45094 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.10785 |
| Heavy Atoms | 30 |
| Complexity | 1372.3806 |
Chemical Identifiers
| CAS Number | 866136-71-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=CC4=NC(=CC(=O)N4N3)CSC5=CC=CC=C5)C |
Product Overview
8R-0041 (CAS 866136-71-2), with molecular formula C23H20N4OS2 and molecular weight 432.11 g/mol. IUPAC: 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 8R-0041
Property Insights of 8R-0041
The XLogP value of 5.45094 indicates that 8R-0041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.09 Ų, 8R-0041 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8R-0041 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8R-0041?
The CAS number of 8R-0041 is 866136-71-2.
What is the molecular formula of 8R-0041?
The molecular formula of 8R-0041 is C23H20N4OS2.
What is the molecular weight of 8R-0041?
The molecular weight of 8R-0041 is 432.11 g/mol.
Where can I buy 8R-0041?
You can request a quote for 8R-0041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8R-0041?
Yes, KEHONG BIO provides custom synthesis services for 8R-0041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.