BAS 00414971
TL;DR: BAS 00414971 (CAS 313987-55-2) is a chemical compound with molecular formula C21H12BrF3N4O3 and molecular weight 504.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00414971, N-(1,3-benzodioxol-5-yl)-3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(2H-1,3-BENZODIOXOL-5-YL)-3-BROMO-5-PHENYL-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE, N-(benzo[d][1,3]dioxol-5-yl)-3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C21H12BrF3N4O3 |
|---|---|
| Molecular Weight | 504.00 g/mol |
| LogP | 5.1586 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.0045 |
| Heavy Atoms | 32 |
| Complexity | 1356.1565 |
Chemical Identifiers
| CAS Number | 313987-55-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CC=C5)C(F)(F)F |
Product Overview
BAS 00414971 (CAS 313987-55-2), with molecular formula C21H12BrF3N4O3 and molecular weight 504.00 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00414971
Property Insights of BAS 00414971
The XLogP value of 5.1586 indicates that BAS 00414971 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00414971. Following Lipinski's Rule of Five, BAS 00414971 has 1 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 00414971?
The CAS number of BAS 00414971 is 313987-55-2.
What is the molecular formula of BAS 00414971?
The molecular formula of BAS 00414971 is C21H12BrF3N4O3.
What is the molecular weight of BAS 00414971?
The molecular weight of BAS 00414971 is 504.00 g/mol.
Where can I buy BAS 00414971?
You can request a quote for BAS 00414971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414971?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.