BAS 01841644
TL;DR: BAS 01841644 (CAS 332857-80-4) is a chemical compound with molecular formula C22H20ClF3N4O2S and molecular weight 496.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 01841644, BIM-0012500.P001, 3-chloro-5-(4-methoxyphenyl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-5-(4-methoxyphenyl)-N-(2-(methylthio)phenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, [3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1 ,3-diazaperhydroin-2-yl)]-N-(2-methylthiophenyl)carboxamide
| Molecular Formula | C22H20ClF3N4O2S |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 6.1796 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.09476 |
| Heavy Atoms | 33 |
| Complexity | 1167.4379 |
Chemical Identifiers
| CAS Number | 332857-80-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(N3C(=C(C(=N3)C(=O)NC4=CC=CC=C4SC)Cl)N2)C(F)(F)F |
Product Overview
BAS 01841644 (CAS 332857-80-4), with molecular formula C22H20ClF3N4O2S and molecular weight 496.09 g/mol. IUPAC: 3-chloro-5-(4-methoxyphenyl)-N-(2-methylsulfanylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 01841644
Property Insights of BAS 01841644
The XLogP value of 6.1796 indicates that BAS 01841644 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 01841644. Following Lipinski's Rule of Five, BAS 01841644 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01841644?
The CAS number of BAS 01841644 is 332857-80-4.
What is the molecular formula of BAS 01841644?
The molecular formula of BAS 01841644 is C22H20ClF3N4O2S.
What is the molecular weight of BAS 01841644?
The molecular weight of BAS 01841644 is 496.09 g/mol.
Where can I buy BAS 01841644?
You can request a quote for BAS 01841644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01841644?
Yes, KEHONG BIO provides custom synthesis services for BAS 01841644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.