ChemDiv3_012476
TL;DR: ChemDiv3_012476 (CAS 896698-46-7) is a chemical compound with molecular formula C24H24N6S and molecular weight 428.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
Also Known As: ChemDiv3_012476, BRD-K92820008-001-01-5, 3,5-dimethyl-1-[2-(5-{[(4-methylphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-pyrazole, 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline, 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-[(4-methylbenzyl)thio][1,2,4]triazolo[1,5-c]quinazoline
| Molecular Formula | C24H24N6S |
|---|---|
| Molecular Weight | 428.18 g/mol |
| LogP | 4.93426 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.1783 |
| Heavy Atoms | 31 |
| Complexity | 1366.6417 |
Chemical Identifiers
| CAS Number | 896698-46-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCN5C(=CC(=N5)C)C |
Product Overview
ChemDiv3_012476 (CAS 896698-46-7), with molecular formula C24H24N6S and molecular weight 428.18 g/mol. IUPAC: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline.
Chemical Property Profile of ChemDiv3_012476
Property Insights of ChemDiv3_012476
The XLogP value of 4.93426 indicates that ChemDiv3_012476 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012476. Following Lipinski's Rule of Five, ChemDiv3_012476 has 0 hydrogen bond donor(s) and 5 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 ChemDiv3_012476?
The CAS number of ChemDiv3_012476 is 896698-46-7.
What is the molecular formula of ChemDiv3_012476?
The molecular formula of ChemDiv3_012476 is C24H24N6S.
What is the molecular weight of ChemDiv3_012476?
The molecular weight of ChemDiv3_012476 is 428.18 g/mol.
Where can I buy ChemDiv3_012476?
You can request a quote for ChemDiv3_012476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012476?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.