3T-0859
TL;DR: 3T-0859 (CAS 865657-86-9) is a chemical compound with molecular formula C23H20FN5S and molecular weight 417.14 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]-6-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
Also Known As: 3T-0859, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-6-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-6-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine, 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-6-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
| Molecular Formula | C23H20FN5S |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 5.56206 |
| Topological Polar Surface Area | 61.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.14233 |
| Heavy Atoms | 30 |
| Complexity | 1372.0161 |
Chemical Identifiers
| CAS Number | 865657-86-9 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2)C3=NN4C(=C3)N=C(C(=C4N)C5=CC=C(C=C5)F)C)C |
Product Overview
3T-0859 (CAS 865657-86-9), with molecular formula C23H20FN5S and molecular weight 417.14 g/mol. IUPAC: 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-6-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
Chemical Property Profile of 3T-0859
Property Insights of 3T-0859
The XLogP value of 5.56206 indicates that 3T-0859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3T-0859. Following Lipinski's Rule of Five, 3T-0859 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 3T-0859?
The CAS number of 3T-0859 is 865657-86-9.
What is the molecular formula of 3T-0859?
The molecular formula of 3T-0859 is C23H20FN5S.
What is the molecular weight of 3T-0859?
The molecular weight of 3T-0859 is 417.14 g/mol.
Where can I buy 3T-0859?
You can request a quote for 3T-0859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3T-0859?
Yes, KEHONG BIO provides custom synthesis services for 3T-0859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.