BAS 00398309
TL;DR: BAS 00398309 (CAS 314048-86-7) is a chemical compound with molecular formula C20H12BrF3N4O2 and molecular weight 476.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(3-hydroxyphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00398309, 3-bromo-N-(3-hydroxyphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-BROMO-N~2~-(3-HYDROXYPHENYL)-5-PHENYL-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE
| Molecular Formula | C20H12BrF3N4O2 |
|---|---|
| Molecular Weight | 476.01 g/mol |
| LogP | 5.1355 |
| Topological Polar Surface Area | 79.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.00958 |
| Heavy Atoms | 30 |
| Complexity | 1256.3793 |
Chemical Identifiers
| CAS Number | 314048-86-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CC(=CC=C4)O)Br |
Product Overview
BAS 00398309 (CAS 314048-86-7), with molecular formula C20H12BrF3N4O2 and molecular weight 476.01 g/mol. IUPAC: 3-bromo-N-(3-hydroxyphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00398309
Property Insights of BAS 00398309
The XLogP value of 5.1355 indicates that BAS 00398309 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.52 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00398309. Following Lipinski's Rule of Five, BAS 00398309 has 2 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 00398309?
The CAS number of BAS 00398309 is 314048-86-7.
What is the molecular formula of BAS 00398309?
The molecular formula of BAS 00398309 is C20H12BrF3N4O2.
What is the molecular weight of BAS 00398309?
The molecular weight of BAS 00398309 is 476.01 g/mol.
Where can I buy BAS 00398309?
You can request a quote for BAS 00398309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00398309?
Yes, KEHONG BIO provides custom synthesis services for BAS 00398309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.