ChemDiv1_003910
TL;DR: ChemDiv1_003910 (CAS 332858-72-7) is a chemical compound with molecular formula C21H20ClF3N4O3S and molecular weight 500.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_003910, BAS 01841765, BIM-0012616.P001, 3-chloro-5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, [5-(3,4-dimethoxyphenyl)-3-chloro-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5 -a]1,3-diazaperhydroin-2-yl)]-N-(2-thienylmethyl)carboxamide
| Molecular Formula | C21H20ClF3N4O3S |
|---|---|
| Molecular Weight | 500.09 g/mol |
| LogP | 5.2055 |
| Topological Polar Surface Area | 77.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.08966 |
| Heavy Atoms | 33 |
| Complexity | 1150.5742 |
Chemical Identifiers
| CAS Number | 332858-72-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC(N3C(=C(C(=N3)C(=O)NCC4=CC=CS4)Cl)N2)C(F)(F)F)OC |
Product Overview
ChemDiv1_003910 (CAS 332858-72-7), with molecular formula C21H20ClF3N4O3S and molecular weight 500.09 g/mol. IUPAC: 3-chloro-5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_003910
Property Insights of ChemDiv1_003910
The XLogP value of 5.2055 indicates that ChemDiv1_003910 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_003910. Following Lipinski's Rule of Five, ChemDiv1_003910 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_003910?
The CAS number of ChemDiv1_003910 is 332858-72-7.
What is the molecular formula of ChemDiv1_003910?
The molecular formula of ChemDiv1_003910 is C21H20ClF3N4O3S.
What is the molecular weight of ChemDiv1_003910?
The molecular weight of ChemDiv1_003910 is 500.09 g/mol.
Where can I buy ChemDiv1_003910?
You can request a quote for ChemDiv1_003910 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003910?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003910 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.