BAS 00414900
TL;DR: BAS 00414900 (CAS 313987-15-4) is a chemical compound with molecular formula C19H9BrF5N5O and molecular weight 496.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,6-difluorophenyl)-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00414900, BIM-0009265.P001, N-(2-bromo-4,6-difluorophenyl)-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide, N-(2-bromo-4,6-difluorophenyl)-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide, N-(6-bromo-2,4-difluorophenyl)[5-phenyl-7-(trifluoromethyl)(8-hydro-1,2,4-tria zolo[1,5-a]pyrimidin-2-yl)]carboxamide
| Molecular Formula | C19H9BrF5N5O |
|---|---|
| Molecular Weight | 496.99 g/mol |
| LogP | 5.1031 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.99106 |
| Heavy Atoms | 31 |
| Complexity | 1283.5303 |
Chemical Identifiers
| CAS Number | 313987-15-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=C(C=C(C=C4Br)F)F |
Product Overview
BAS 00414900 (CAS 313987-15-4), with molecular formula C19H9BrF5N5O and molecular weight 496.99 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00414900
Property Insights of BAS 00414900
The XLogP value of 5.1031 indicates that BAS 00414900 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00414900. Following Lipinski's Rule of Five, BAS 00414900 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 00414900?
The CAS number of BAS 00414900 is 313987-15-4.
What is the molecular formula of BAS 00414900?
The molecular formula of BAS 00414900 is C19H9BrF5N5O.
What is the molecular weight of BAS 00414900?
The molecular weight of BAS 00414900 is 496.99 g/mol.
Where can I buy BAS 00414900?
You can request a quote for BAS 00414900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414900?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.