BAS 00398180
TL;DR: BAS 00398180 (CAS 312617-55-3) is a chemical compound with molecular formula C20H14F3N5O and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: BAS 00398180, AB00093256-01, 5-phenyl-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 5-phenyl-N-(3-pyridinylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, [5-phenyl-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl)]-N-(3-pyri dylmethyl)carboxamide
| Molecular Formula | C20H14F3N5O |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 3.7401 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.11505 |
| Heavy Atoms | 29 |
| Complexity | 1157.4292 |
Chemical Identifiers
| CAS Number | 312617-55-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NCC4=CN=CC=C4 |
Product Overview
BAS 00398180 (CAS 312617-55-3), with molecular formula C20H14F3N5O and molecular weight 397.12 g/mol. IUPAC: 5-phenyl-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of BAS 00398180
Property Insights of BAS 00398180
The XLogP value of 3.7401 indicates that BAS 00398180 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 00398180. Following Lipinski's Rule of Five, BAS 00398180 has 1 hydrogen bond donor(s) and 4 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 00398180?
The CAS number of BAS 00398180 is 312617-55-3.
What is the molecular formula of BAS 00398180?
The molecular formula of BAS 00398180 is C20H14F3N5O.
What is the molecular weight of BAS 00398180?
The molecular weight of BAS 00398180 is 397.12 g/mol.
Where can I buy BAS 00398180?
You can request a quote for BAS 00398180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00398180?
Yes, KEHONG BIO provides custom synthesis services for BAS 00398180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.