8R-0055
TL;DR: 8R-0055 (CAS 478259-04-0) is a chemical compound with molecular formula C17H15ClN4OS and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
Also Known As: 8R-0055, 5-(chloromethyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]pyrazolo[1,5-a]pyrimidin-7-ol, 5-(chloromethyl)-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-ol, 5-(chloromethyl)-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C17H15ClN4OS |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 3.89744 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.06552 |
| Heavy Atoms | 24 |
| Complexity | 1082.1394 |
Chemical Identifiers
| CAS Number | 478259-04-0 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=CC4=NC(=CC(=O)N4N3)CCl)C |
Product Overview
8R-0055 (CAS 478259-04-0), with molecular formula C17H15ClN4OS and molecular weight 358.07 g/mol. IUPAC: 5-(chloromethyl)-2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 8R-0055
Property Insights of 8R-0055
The XLogP value of 3.89744 indicates that 8R-0055 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-0055 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8R-0055 has 1 hydrogen bond donor(s) and 3 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 8R-0055?
The CAS number of 8R-0055 is 478259-04-0.
What is the molecular formula of 8R-0055?
The molecular formula of 8R-0055 is C17H15ClN4OS.
What is the molecular weight of 8R-0055?
The molecular weight of 8R-0055 is 358.07 g/mol.
Where can I buy 8R-0055?
You can request a quote for 8R-0055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8R-0055?
Yes, KEHONG BIO provides custom synthesis services for 8R-0055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.