ChemDiv1_003948
TL;DR: ChemDiv1_003948 (CAS 332856-99-2) is a chemical compound with molecular formula C21H17BrF3N5O2S and molecular weight 539.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_003948, BAS 01841525, 3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-N~2~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C21H17BrF3N5O2S |
|---|---|
| Molecular Weight | 539.02 g/mol |
| LogP | 5.96318 |
| Topological Polar Surface Area | 95.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 539.02386 |
| Heavy Atoms | 33 |
| Complexity | 1258.4401 |
Chemical Identifiers
| CAS Number | 332856-99-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN4C(CC(NC4=C3Br)C5=CC=CO5)C(F)(F)F)C#N |
Product Overview
ChemDiv1_003948 (CAS 332856-99-2), with molecular formula C21H17BrF3N5O2S and molecular weight 539.02 g/mol. IUPAC: 3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_003948
Property Insights of ChemDiv1_003948
The XLogP value of 5.96318 indicates that ChemDiv1_003948 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003948. Following Lipinski's Rule of Five, ChemDiv1_003948 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_003948?
The CAS number of ChemDiv1_003948 is 332856-99-2.
What is the molecular formula of ChemDiv1_003948?
The molecular formula of ChemDiv1_003948 is C21H17BrF3N5O2S.
What is the molecular weight of ChemDiv1_003948?
The molecular weight of ChemDiv1_003948 is 539.02 g/mol.
Where can I buy ChemDiv1_003948?
You can request a quote for ChemDiv1_003948 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003948?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.