BAS 00222875
TL;DR: BAS 00222875 (CAS 306765-98-0) is a chemical compound with molecular formula C26H17F3N6O4 and molecular weight 534.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00222875, N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide, F0347-3202, N-(3-nitro-5-(m-tolyloxy)phenyl)-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide, N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C26H17F3N6O4 |
|---|---|
| Molecular Weight | 534.13 g/mol |
| LogP | 6.07132 |
| Topological Polar Surface Area | 124.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.12634 |
| Heavy Atoms | 39 |
| Complexity | 1720.6987 |
Chemical Identifiers
| CAS Number | 306765-98-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN4C(=CC(=NC4=N3)C5=CC=CC=C5)C(F)(F)F |
Product Overview
BAS 00222875 (CAS 306765-98-0), with molecular formula C26H17F3N6O4 and molecular weight 534.13 g/mol. IUPAC: N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00222875
Property Insights of BAS 00222875
The XLogP value of 6.07132 indicates that BAS 00222875 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00222875. Following Lipinski's Rule of Five, BAS 00222875 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00222875?
The CAS number of BAS 00222875 is 306765-98-0.
What is the molecular formula of BAS 00222875?
The molecular formula of BAS 00222875 is C26H17F3N6O4.
What is the molecular weight of BAS 00222875?
The molecular weight of BAS 00222875 is 534.13 g/mol.
Where can I buy BAS 00222875?
You can request a quote for BAS 00222875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00222875?
Yes, KEHONG BIO provides custom synthesis services for BAS 00222875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.