ChemDiv3_005356
TL;DR: ChemDiv3_005356 (CAS 494747-29-4) is a chemical compound with molecular formula C26H21F3N6O and molecular weight 490.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzylpyrazol-3-yl)-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv3_005356, IDI1_023266, BRD-K52491867-001-01-3, N-(1-benzyl-1H-pyrazol-3-yl)-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 5-(3,4-Dimethylphenyl)-N-[1-(phenylmethyl)-1H-pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C26H21F3N6O |
|---|---|
| Molecular Weight | 490.17 g/mol |
| LogP | 5.52904 |
| Topological Polar Surface Area | 77.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.17288 |
| Heavy Atoms | 36 |
| Complexity | 1570.1599 |
Chemical Identifiers
| CAS Number | 494747-29-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)NC4=NN(C=C4)CC5=CC=CC=C5)C |
Product Overview
ChemDiv3_005356 (CAS 494747-29-4), with molecular formula C26H21F3N6O and molecular weight 490.17 g/mol. IUPAC: N-(1-benzylpyrazol-3-yl)-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv3_005356
Property Insights of ChemDiv3_005356
The XLogP value of 5.52904 indicates that ChemDiv3_005356 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005356. Following Lipinski's Rule of Five, ChemDiv3_005356 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 ChemDiv3_005356?
The CAS number of ChemDiv3_005356 is 494747-29-4.
What is the molecular formula of ChemDiv3_005356?
The molecular formula of ChemDiv3_005356 is C26H21F3N6O.
What is the molecular weight of ChemDiv3_005356?
The molecular weight of ChemDiv3_005356 is 490.17 g/mol.
Where can I buy ChemDiv3_005356?
You can request a quote for ChemDiv3_005356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005356?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.