ChemDiv1_003990
TL;DR: ChemDiv1_003990 (CAS 381209-54-7) 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-3-carboxamide
Also Known As: ChemDiv1_003990, BIM-0003745.P001, 5-(4-bromophenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, [5-(4-bromophenyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaper hydroin-3-yl)]-N-(3,4,5-trimethoxyphenyl)carboxamide, 5-(4-bromophenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-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 | 381209-54-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C3NC(CC(N3N=C2)C(F)(F)F)C4=CC=C(C=C4)Br |
Product Overview
ChemDiv1_003990 (CAS 381209-54-7), 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-3-carboxamide.
Chemical Property Profile of ChemDiv1_003990
Property Insights of ChemDiv1_003990
The XLogP value of 5.584 indicates that ChemDiv1_003990 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_003990. Following Lipinski's Rule of Five, ChemDiv1_003990 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_003990?
The CAS number of ChemDiv1_003990 is 381209-54-7.
What is the molecular formula of ChemDiv1_003990?
The molecular formula of ChemDiv1_003990 is C23H22BrF3N4O4.
What is the molecular weight of ChemDiv1_003990?
The molecular weight of ChemDiv1_003990 is 554.08 g/mol.
Where can I buy ChemDiv1_003990?
You can request a quote for ChemDiv1_003990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003990?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.