ChemDiv2_004709
TL;DR: ChemDiv2_004709 (CAS 593237-40-2) is a chemical compound with molecular formula C21H22N6OS and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-7-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Also Known As: ChemDiv2_004709, IDI1_003424, 2-ethyl-7-(4-(2-methylquinolin-4-yl)piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, 2-ethyl-7-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, 2-ethyl-7-[4-(2-methyl-4-quinolinyl)-1-piperazinyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
| Molecular Formula | C21H22N6OS |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 2.89662 |
| Topological Polar Surface Area | 66.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.1576 |
| Heavy Atoms | 29 |
| Complexity | 1255.2347 |
Chemical Identifiers
| CAS Number | 593237-40-2 |
|---|---|
| SMILES | CCC1=NN2C(=O)C=C(N=C2S1)N3CCN(CC3)C4=CC(=NC5=CC=CC=C54)C |
Product Overview
ChemDiv2_004709 (CAS 593237-40-2), with molecular formula C21H22N6OS and molecular weight 406.16 g/mol. IUPAC: 2-ethyl-7-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
Chemical Property Profile of ChemDiv2_004709
Property Insights of ChemDiv2_004709
The XLogP value of 2.89662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004709. The TPSA of 66.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004709. Following Lipinski's Rule of Five, ChemDiv2_004709 has 0 hydrogen bond donor(s) and 7 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 ChemDiv2_004709?
The CAS number of ChemDiv2_004709 is 593237-40-2.
What is the molecular formula of ChemDiv2_004709?
The molecular formula of ChemDiv2_004709 is C21H22N6OS.
What is the molecular weight of ChemDiv2_004709?
The molecular weight of ChemDiv2_004709 is 406.16 g/mol.
Where can I buy ChemDiv2_004709?
You can request a quote for ChemDiv2_004709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004709?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.