ChemDiv3_012432
TL;DR: ChemDiv3_012432 (CAS 896695-91-3) is a chemical compound with molecular formula C16H16N6S and molecular weight 324.12 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]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
Also Known As: ChemDiv3_012432, 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione, BRD-K17590079-001-01-0, 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
| Molecular Formula | C16H16N6S |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 2.99613 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.11572 |
| Heavy Atoms | 23 |
| Complexity | 1071.2472 |
Chemical Identifiers
| CAS Number | 896695-91-3 |
|---|---|
| SMILES | CC1=CC(=NN1CCC2=NC3=C4C=CC=CC4=NC(=S)N3N2)C |
Product Overview
ChemDiv3_012432 (CAS 896695-91-3), with molecular formula C16H16N6S and molecular weight 324.12 g/mol. IUPAC: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione.
Chemical Property Profile of ChemDiv3_012432
Property Insights of ChemDiv3_012432
The XLogP value of 2.99613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012432. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012432. Following Lipinski's Rule of Five, ChemDiv3_012432 has 1 hydrogen bond donor(s) and 4 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_012432?
The CAS number of ChemDiv3_012432 is 896695-91-3.
What is the molecular formula of ChemDiv3_012432?
The molecular formula of ChemDiv3_012432 is C16H16N6S.
What is the molecular weight of ChemDiv3_012432?
The molecular weight of ChemDiv3_012432 is 324.12 g/mol.
Where can I buy ChemDiv3_012432?
You can request a quote for ChemDiv3_012432 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012432?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012432 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.