BAS 00398281
TL;DR: BAS 00398281 (CAS 313986-94-6) is a chemical compound with molecular formula C22H16BrF3N4O and molecular weight 488.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(4-ethylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00398281, BIM-0048974.P001, 3-bromo-N-(4-ethylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C22H16BrF3N4O |
|---|---|
| Molecular Weight | 488.05 g/mol |
| LogP | 5.9923 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.04596 |
| Heavy Atoms | 31 |
| Complexity | 1251.9778 |
Chemical Identifiers
| CAS Number | 313986-94-6 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CC=C4)C(F)(F)F |
Product Overview
BAS 00398281 (CAS 313986-94-6), with molecular formula C22H16BrF3N4O and molecular weight 488.05 g/mol. IUPAC: 3-bromo-N-(4-ethylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00398281
Property Insights of BAS 00398281
The XLogP value of 5.9923 indicates that BAS 00398281 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.29 Ų, BAS 00398281 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00398281 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00398281?
The CAS number of BAS 00398281 is 313986-94-6.
What is the molecular formula of BAS 00398281?
The molecular formula of BAS 00398281 is C22H16BrF3N4O.
What is the molecular weight of BAS 00398281?
The molecular weight of BAS 00398281 is 488.05 g/mol.
Where can I buy BAS 00398281?
You can request a quote for BAS 00398281 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00398281?
Yes, KEHONG BIO provides custom synthesis services for BAS 00398281 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.