ChemDiv1_004045
TL;DR: ChemDiv1_004045 (CAS 332852-61-6) is a chemical compound with molecular formula C19H14BrF3N4O3S and molecular weight 513.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_004045, BAS 01841061, BIM-0011725.P001, N-(benzo[d][1,3]dioxol-5-yl)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, N-(1,3-benzodioxol-5-yl)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C19H14BrF3N4O3S |
|---|---|
| Molecular Weight | 513.99 g/mol |
| LogP | 5.3484 |
| Topological Polar Surface Area | 77.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 513.9922 |
| Heavy Atoms | 31 |
| Complexity | 1149.2173 |
Chemical Identifiers
| CAS Number | 332852-61-6 |
|---|---|
| SMILES | C1C(NC2=C(C(=NN2C1C(F)(F)F)C(=O)NC3=CC4=C(C=C3)OCO4)Br)C5=CC=CS5 |
Product Overview
ChemDiv1_004045 (CAS 332852-61-6), with molecular formula C19H14BrF3N4O3S and molecular weight 513.99 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_004045
Property Insights of ChemDiv1_004045
The XLogP value of 5.3484 indicates that ChemDiv1_004045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004045. Following Lipinski's Rule of Five, ChemDiv1_004045 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004045?
The CAS number of ChemDiv1_004045 is 332852-61-6.
What is the molecular formula of ChemDiv1_004045?
The molecular formula of ChemDiv1_004045 is C19H14BrF3N4O3S.
What is the molecular weight of ChemDiv1_004045?
The molecular weight of ChemDiv1_004045 is 513.99 g/mol.
Where can I buy ChemDiv1_004045?
You can request a quote for ChemDiv1_004045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004045?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.