ChemDiv1_005628
TL;DR: ChemDiv1_005628 (CAS 309274-58-6) is a chemical compound with molecular formula C14H16N4OS and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: ChemDiv1_005628, BAS 02104759, BIM-0008157.P001, AB00104709-01, BRD-K15297250-001-01-5
| Molecular Formula | C14H16N4OS |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.1045 |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 309274-58-6 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)N2CCCC3=CC=CC=C32 |
| InChIKey | VEJDPDTYTCDFGA-UHFFFAOYSA-N |
Product Overview
ChemDiv1_005628 (CAS 309274-58-6), with molecular formula C14H16N4OS and molecular weight 288.10 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of ChemDiv1_005628
Property Insights of ChemDiv1_005628
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005628. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005628. Following Lipinski's Rule of Five, ChemDiv1_005628 has 0 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 ChemDiv1_005628?
The CAS number of ChemDiv1_005628 is 309274-58-6.
What is the molecular formula of ChemDiv1_005628?
The molecular formula of ChemDiv1_005628 is C14H16N4OS.
What is the molecular weight of ChemDiv1_005628?
The molecular weight of ChemDiv1_005628 is 288.10 g/mol.
Where can I buy ChemDiv1_005628?
You can request a quote for ChemDiv1_005628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005628?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.