ChemDiv1_003957
TL;DR: ChemDiv1_003957 (CAS 332852-59-2) is a chemical compound with molecular formula C20H18BrF3N4O3S and molecular weight 530.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_003957, BAS 01841057, BIM-0012601.P001, 3-bromo-N-(3,4-dimethoxyphenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-N-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C20H18BrF3N4O3S |
|---|---|
| Molecular Weight | 530.02 g/mol |
| LogP | 5.6369 |
| Topological Polar Surface Area | 77.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 530.0235 |
| Heavy Atoms | 32 |
| Complexity | 1134.0563 |
Chemical Identifiers
| CAS Number | 332852-59-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)C2=NN3C(CC(NC3=C2Br)C4=CC=CS4)C(F)(F)F)OC |
Product Overview
ChemDiv1_003957 (CAS 332852-59-2), with molecular formula C20H18BrF3N4O3S and molecular weight 530.02 g/mol. IUPAC: 3-bromo-N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_003957
Property Insights of ChemDiv1_003957
The XLogP value of 5.6369 indicates that ChemDiv1_003957 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_003957. Following Lipinski's Rule of Five, ChemDiv1_003957 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_003957?
The CAS number of ChemDiv1_003957 is 332852-59-2.
What is the molecular formula of ChemDiv1_003957?
The molecular formula of ChemDiv1_003957 is C20H18BrF3N4O3S.
What is the molecular weight of ChemDiv1_003957?
The molecular weight of ChemDiv1_003957 is 530.02 g/mol.
Where can I buy ChemDiv1_003957?
You can request a quote for ChemDiv1_003957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003957?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.