BAS 01841804
TL;DR: BAS 01841804 (CAS 332858-98-7) is a chemical compound with molecular formula C22H18F6N4O2 and molecular weight 484.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Also Known As: BAS 01841804, BIM-0012215.P001, 5-(p-tolyl)-N-(4-(trifluoromethoxy)phenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, [5-(4-methylphenyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazape rhydroin-3-yl)]-N-[4-(trifluoromethoxy)phenyl]carboxamide, 5-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
| Molecular Formula | C22H18F6N4O2 |
|---|---|
| Molecular Weight | 484.13 g/mol |
| LogP | 6.00272 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.1334 |
| Heavy Atoms | 34 |
| Complexity | 1170.0908 |
Chemical Identifiers
| CAS Number | 332858-98-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(N3C(=C(C=N3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F)N2)C(F)(F)F |
Product Overview
BAS 01841804 (CAS 332858-98-7), with molecular formula C22H18F6N4O2 and molecular weight 484.13 g/mol. IUPAC: 5-(4-methylphenyl)-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
Chemical Property Profile of BAS 01841804
Property Insights of BAS 01841804
The XLogP value of 6.00272 indicates that BAS 01841804 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01841804. Following Lipinski's Rule of Five, BAS 01841804 has 2 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 BAS 01841804?
The CAS number of BAS 01841804 is 332858-98-7.
What is the molecular formula of BAS 01841804?
The molecular formula of BAS 01841804 is C22H18F6N4O2.
What is the molecular weight of BAS 01841804?
The molecular weight of BAS 01841804 is 484.13 g/mol.
Where can I buy BAS 01841804?
You can request a quote for BAS 01841804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01841804?
Yes, KEHONG BIO provides custom synthesis services for BAS 01841804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.