ChemDiv1_003988
TL;DR: ChemDiv1_003988 (CAS 351895-02-8) is a chemical compound with molecular formula C23H22BrF3N4O4 and molecular weight 554.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_003988, BIM-0003720.P001, 5-(4-bromophenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 5-(4-bromophenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 5-(4-BROMOPHENYL)-7-(TRIFLUOROMETHYL)-N-(3,4,5-TRIMETHOXYPHENYL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE
| Molecular Formula | C23H22BrF3N4O4 |
|---|---|
| Molecular Weight | 554.08 g/mol |
| LogP | 5.584 |
| Topological Polar Surface Area | 86.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 554.07764 |
| Heavy Atoms | 35 |
| Complexity | 1205.4897 |
Chemical Identifiers
| CAS Number | 351895-02-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=O)C2=NN3C(CC(NC3=C2)C4=CC=C(C=C4)Br)C(F)(F)F |
Product Overview
ChemDiv1_003988 (CAS 351895-02-8), with molecular formula C23H22BrF3N4O4 and molecular weight 554.08 g/mol. IUPAC: 5-(4-bromophenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_003988
Property Insights of ChemDiv1_003988
The XLogP value of 5.584 indicates that ChemDiv1_003988 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003988. Following Lipinski's Rule of Five, ChemDiv1_003988 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_003988?
The CAS number of ChemDiv1_003988 is 351895-02-8.
What is the molecular formula of ChemDiv1_003988?
The molecular formula of ChemDiv1_003988 is C23H22BrF3N4O4.
What is the molecular weight of ChemDiv1_003988?
The molecular weight of ChemDiv1_003988 is 554.08 g/mol.
Where can I buy ChemDiv1_003988?
You can request a quote for ChemDiv1_003988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003988?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.