BAS 01059095
TL;DR: BAS 01059095 (CAS 334500-13-9) is a chemical compound with molecular formula C21H21F3N4O and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
Also Known As: BAS 01059095, azepan-1-yl-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone, 3-(1-azepanylcarbonyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, azepan-1-yl(5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)methanone, azepan-1-yl[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
| Molecular Formula | C21H21F3N4O |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 4.73972 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.16675 |
| Heavy Atoms | 29 |
| Complexity | 1032.5011 |
Chemical Identifiers
| CAS Number | 334500-13-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)N4CCCCCC4 |
Product Overview
BAS 01059095 (CAS 334500-13-9), with molecular formula C21H21F3N4O and molecular weight 402.17 g/mol. IUPAC: azepan-1-yl-[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
Chemical Property Profile of BAS 01059095
Property Insights of BAS 01059095
The XLogP value of 4.73972 indicates that BAS 01059095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, BAS 01059095 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01059095 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 BAS 01059095?
The CAS number of BAS 01059095 is 334500-13-9.
What is the molecular formula of BAS 01059095?
The molecular formula of BAS 01059095 is C21H21F3N4O.
What is the molecular weight of BAS 01059095?
The molecular weight of BAS 01059095 is 402.17 g/mol.
Where can I buy BAS 01059095?
You can request a quote for BAS 01059095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01059095?
Yes, KEHONG BIO provides custom synthesis services for BAS 01059095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.