ChemDiv1_012658
TL;DR: ChemDiv1_012658 (CAS 5837-02-5) is a chemical compound with molecular formula C22H19F3N4O3S and molecular weight 476.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_012658, BAS 00924615, BIM-0034725.P001, N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C22H19F3N4O3S |
|---|---|
| Molecular Weight | 476.11 g/mol |
| LogP | 4.4663 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.113 |
| Heavy Atoms | 33 |
| Complexity | 1286.271 |
Chemical Identifiers
| CAS Number | 5837-02-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)F)OC |
Product Overview
ChemDiv1_012658 (CAS 5837-02-5), with molecular formula C22H19F3N4O3S and molecular weight 476.11 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_012658
Property Insights of ChemDiv1_012658
The XLogP value of 4.4663 indicates that ChemDiv1_012658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012658. Following Lipinski's Rule of Five, ChemDiv1_012658 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012658?
The CAS number of ChemDiv1_012658 is 5837-02-5.
What is the molecular formula of ChemDiv1_012658?
The molecular formula of ChemDiv1_012658 is C22H19F3N4O3S.
What is the molecular weight of ChemDiv1_012658?
The molecular weight of ChemDiv1_012658 is 476.11 g/mol.
Where can I buy ChemDiv1_012658?
You can request a quote for ChemDiv1_012658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012658?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.