5R-0078
TL;DR: 5R-0078 (CAS 677749-57-4) is a chemical compound with molecular formula C19H20N4S and molecular weight 336.14 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]-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
Also Known As: 5R-0078, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine, 2,5-dimethyl-1-(2-{3,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-yl}thiophen-3-yl)-1H-pyrrole, 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
| Molecular Formula | C19H20N4S |
|---|---|
| Molecular Weight | 336.14 g/mol |
| LogP | 4.7906 |
| Topological Polar Surface Area | 35.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.14087 |
| Heavy Atoms | 24 |
| Complexity | 1045.3567 |
Chemical Identifiers
| CAS Number | 677749-57-4 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=NN4C(=CC(=NC4=C3C)C)C)C |
Product Overview
5R-0078 (CAS 677749-57-4), with molecular formula C19H20N4S and molecular weight 336.14 g/mol. IUPAC: 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine.
Chemical Property Profile of 5R-0078
Property Insights of 5R-0078
The XLogP value of 4.7906 indicates that 5R-0078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.12 Ų, 5R-0078 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5R-0078 has 0 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 5R-0078?
The CAS number of 5R-0078 is 677749-57-4.
What is the molecular formula of 5R-0078?
The molecular formula of 5R-0078 is C19H20N4S.
What is the molecular weight of 5R-0078?
The molecular weight of 5R-0078 is 336.14 g/mol.
Where can I buy 5R-0078?
You can request a quote for 5R-0078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5R-0078?
Yes, KEHONG BIO provides custom synthesis services for 5R-0078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.