ChemDiv3_014379
TL;DR: ChemDiv3_014379 (CAS 690643-11-9) is a chemical compound with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone
Also Known As: ChemDiv3_014379, IDI1_030177, VU0618209-1, F3394-0730, 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}ethan-1-one
| Molecular Formula | C23H22N4O3S |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 3.5767 |
| Topological Polar Surface Area | 68.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.14127 |
| Heavy Atoms | 31 |
| Complexity | 1286.7877 |
Chemical Identifiers
| CAS Number | 690643-11-9 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NN=C4N3C5=CC=CC=C5C=C4)OC |
Product Overview
ChemDiv3_014379 (CAS 690643-11-9), with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol. IUPAC: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)ethanone.
Chemical Property Profile of ChemDiv3_014379
Property Insights of ChemDiv3_014379
The XLogP value of 3.5767 indicates that ChemDiv3_014379 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014379. Following Lipinski's Rule of Five, ChemDiv3_014379 has 0 hydrogen bond donor(s) and 6 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_014379?
The CAS number of ChemDiv3_014379 is 690643-11-9.
What is the molecular formula of ChemDiv3_014379?
The molecular formula of ChemDiv3_014379 is C23H22N4O3S.
What is the molecular weight of ChemDiv3_014379?
The molecular weight of ChemDiv3_014379 is 434.14 g/mol.
Where can I buy ChemDiv3_014379?
You can request a quote for ChemDiv3_014379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014379?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.