ChemDiv1_003915
TL;DR: ChemDiv1_003915 (CAS 332852-67-2) is a chemical compound with molecular formula C19H15BrF3N5O4S and molecular weight 545.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(3-methoxy-5-nitrophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_003915, BAS 01841074, BIM-0012210.P001, 3-bromo-N-(3-methoxy-5-nitrophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, [3-bromo-5-(2-thienyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diaz aperhydroin-2-yl)]-N-(5-methoxy-3-nitrophenyl)carboxamide
| Molecular Formula | C19H15BrF3N5O4S |
|---|---|
| Molecular Weight | 545.00 g/mol |
| LogP | 5.5365 |
| Topological Polar Surface Area | 111.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 544.99805 |
| Heavy Atoms | 33 |
| Complexity | 1214.9766 |
Chemical Identifiers
| CAS Number | 332852-67-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN3C(CC(NC3=C2Br)C4=CC=CS4)C(F)(F)F |
Product Overview
ChemDiv1_003915 (CAS 332852-67-2), with molecular formula C19H15BrF3N5O4S and molecular weight 545.00 g/mol. IUPAC: 3-bromo-N-(3-methoxy-5-nitrophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_003915
Property Insights of ChemDiv1_003915
The XLogP value of 5.5365 indicates that ChemDiv1_003915 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003915. Following Lipinski's Rule of Five, ChemDiv1_003915 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003915?
The CAS number of ChemDiv1_003915 is 332852-67-2.
What is the molecular formula of ChemDiv1_003915?
The molecular formula of ChemDiv1_003915 is C19H15BrF3N5O4S.
What is the molecular weight of ChemDiv1_003915?
The molecular weight of ChemDiv1_003915 is 545.00 g/mol.
Where can I buy ChemDiv1_003915?
You can request a quote for ChemDiv1_003915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003915?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.