ChemDiv1_018644
TL;DR: ChemDiv1_018644 (CAS 332853-30-2) is a chemical compound with molecular formula C21H17ClF3N5OS2 and molecular weight 511.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_018644, BAS 01841152, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, [3-chloro-5-(2-thienyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-dia zaperhydroin-2-yl)]-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carbox amide, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C21H17ClF3N5OS2 |
|---|---|
| Molecular Weight | 511.05 g/mol |
| LogP | 6.32258 |
| Topological Polar Surface Area | 82.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 511.0515 |
| Heavy Atoms | 33 |
| Complexity | 1258.4401 |
Chemical Identifiers
| CAS Number | 332853-30-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN4C(CC(NC4=C3Cl)C5=CC=CS5)C(F)(F)F)C#N |
Product Overview
ChemDiv1_018644 (CAS 332853-30-2), with molecular formula C21H17ClF3N5OS2 and molecular weight 511.05 g/mol. IUPAC: 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_018644
Property Insights of ChemDiv1_018644
The XLogP value of 6.32258 indicates that ChemDiv1_018644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018644. Following Lipinski's Rule of Five, ChemDiv1_018644 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_018644?
The CAS number of ChemDiv1_018644 is 332853-30-2.
What is the molecular formula of ChemDiv1_018644?
The molecular formula of ChemDiv1_018644 is C21H17ClF3N5OS2.
What is the molecular weight of ChemDiv1_018644?
The molecular weight of ChemDiv1_018644 is 511.05 g/mol.
Where can I buy ChemDiv1_018644?
You can request a quote for ChemDiv1_018644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018644?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.