8R-0001
TL;DR: 8R-0001 (CAS 478258-86-5) is a chemical compound with molecular formula C18H12F6N4S and molecular weight 430.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,5-dimethylpyrrol-1-yl)thiophen-3-yl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Also Known As: 8R-0001, 2-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-thienyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, 1-{3-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]thiophen-2-yl}-2,5-dimethyl-1H-pyrrole, 2-[2-(2,5-dimethylpyrrol-1-yl)thiophen-3-yl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
| Molecular Formula | C18H12F6N4S |
|---|---|
| Molecular Weight | 430.07 g/mol |
| LogP | 5.90294 |
| Topological Polar Surface Area | 35.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 430.0687 |
| Heavy Atoms | 29 |
| Complexity | 1192.1033 |
Chemical Identifiers
| CAS Number | 478258-86-5 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C=CS2)C3=NN4C(=CC(=NC4=C3)C(F)(F)F)C(F)(F)F)C |
Product Overview
8R-0001 (CAS 478258-86-5), with molecular formula C18H12F6N4S and molecular weight 430.07 g/mol. IUPAC: 2-[2-(2,5-dimethylpyrrol-1-yl)thiophen-3-yl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
Chemical Property Profile of 8R-0001
Property Insights of 8R-0001
The XLogP value of 5.90294 indicates that 8R-0001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.12 Ų, 8R-0001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8R-0001 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8R-0001?
The CAS number of 8R-0001 is 478258-86-5.
What is the molecular formula of 8R-0001?
The molecular formula of 8R-0001 is C18H12F6N4S.
What is the molecular weight of 8R-0001?
The molecular weight of 8R-0001 is 430.07 g/mol.
Where can I buy 8R-0001?
You can request a quote for 8R-0001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8R-0001?
Yes, KEHONG BIO provides custom synthesis services for 8R-0001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.