BAS 00414931
TL;DR: BAS 00414931 (CAS 313987-32-5) is a chemical compound with molecular formula C21H13F3N4O3 and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00414931, N-(1,3-benzodioxol-5-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)[5-phenyl-7-(trifluoromethyl)(8-hydropyraz olo[1,5-a]pyrimidin-2-yl)]carboxamide
| Molecular Formula | C21H13F3N4O3 |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 4.3961 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.09396 |
| Heavy Atoms | 31 |
| Complexity | 1302.7167 |
Chemical Identifiers
| CAS Number | 313987-32-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CC=C5)C(F)(F)F |
Product Overview
BAS 00414931 (CAS 313987-32-5), with molecular formula C21H13F3N4O3 and molecular weight 426.09 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00414931
Property Insights of BAS 00414931
The XLogP value of 4.3961 indicates that BAS 00414931 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 00414931. Following Lipinski's Rule of Five, BAS 00414931 has 1 hydrogen bond donor(s) and 5 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 00414931?
The CAS number of BAS 00414931 is 313987-32-5.
What is the molecular formula of BAS 00414931?
The molecular formula of BAS 00414931 is C21H13F3N4O3.
What is the molecular weight of BAS 00414931?
The molecular weight of BAS 00414931 is 426.09 g/mol.
Where can I buy BAS 00414931?
You can request a quote for BAS 00414931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414931?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.