BAS 00414972
TL;DR: BAS 00414972 (CAS 313387-30-3) is a chemical compound with molecular formula C21H14BrF3N4OS and molecular weight 506.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(2-methylsulfanylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00414972, 3-bromo-N-[2-(methylsulfanyl)phenyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-N-(2-methylsulfanylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-N-(2-(methylthio)phenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C21H14BrF3N4OS |
|---|---|
| Molecular Weight | 506.00 g/mol |
| LogP | 6.1518 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 506.00238 |
| Heavy Atoms | 31 |
| Complexity | 1275.0967 |
Chemical Identifiers
| CAS Number | 313387-30-3 |
|---|---|
| SMILES | CSC1=CC=CC=C1NC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CC=C4)C(F)(F)F |
Product Overview
BAS 00414972 (CAS 313387-30-3), with molecular formula C21H14BrF3N4OS and molecular weight 506.00 g/mol. IUPAC: 3-bromo-N-(2-methylsulfanylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00414972
Property Insights of BAS 00414972
The XLogP value of 6.1518 indicates that BAS 00414972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.29 Ų, BAS 00414972 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00414972 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 BAS 00414972?
The CAS number of BAS 00414972 is 313387-30-3.
What is the molecular formula of BAS 00414972?
The molecular formula of BAS 00414972 is C21H14BrF3N4OS.
What is the molecular weight of BAS 00414972?
The molecular weight of BAS 00414972 is 506.00 g/mol.
Where can I buy BAS 00414972?
You can request a quote for BAS 00414972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414972?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.