BAS 02868509
TL;DR: BAS 02868509 (CAS 489449-09-4) is a chemical compound with molecular formula C18H19F3N6OS and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 02868509, 5-Thiophen-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (1,3-dimethyl-1H-pyrazol-4-ylmethyl)-amide, N-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C18H19F3N6OS |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.1293 |
| Heavy Atoms | 29 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 489449-09-4 |
|---|---|
| SMILES | CC1=NN(C=C1CNC(=O)C2=NN3C(CC(NC3=C2)C4=CC=CS4)C(F)(F)F)C |
| InChIKey | LUVGKBBKHDPRTJ-UHFFFAOYSA-N |
Product Overview
BAS 02868509 (CAS 489449-09-4), with molecular formula C18H19F3N6OS and molecular weight 424.13 g/mol. IUPAC: N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 02868509
Property Insights of BAS 02868509
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02868509. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02868509. Following Lipinski's Rule of Five, BAS 02868509 has 2 hydrogen bond donor(s) and 8 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 BAS 02868509?
The CAS number of BAS 02868509 is 489449-09-4.
What is the molecular formula of BAS 02868509?
The molecular formula of BAS 02868509 is C18H19F3N6OS.
What is the molecular weight of BAS 02868509?
The molecular weight of BAS 02868509 is 424.13 g/mol.
Where can I buy BAS 02868509?
You can request a quote for BAS 02868509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02868509?
Yes, KEHONG BIO provides custom synthesis services for BAS 02868509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.