ChemDiv3_005841
TL;DR: ChemDiv3_005841 (CAS 522652-64-8) is a chemical compound with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: ChemDiv3_005841, IDI1_023751, BAS 05590363, BRD-K98350690-001-01-0, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C23H24N4O2S |
|---|---|
| Molecular Weight | 420.16 g/mol |
| LogP | 3.8167 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.162 |
| Heavy Atoms | 30 |
| Complexity | 1062.8616 |
Chemical Identifiers
| CAS Number | 522652-64-8 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)N3CCC4=CC=CC=C4C3 |
Product Overview
ChemDiv3_005841 (CAS 522652-64-8), with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of ChemDiv3_005841
Property Insights of ChemDiv3_005841
The XLogP value of 3.8167 indicates that ChemDiv3_005841 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005841. Following Lipinski's Rule of Five, ChemDiv3_005841 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_005841?
The CAS number of ChemDiv3_005841 is 522652-64-8.
What is the molecular formula of ChemDiv3_005841?
The molecular formula of ChemDiv3_005841 is C23H24N4O2S.
What is the molecular weight of ChemDiv3_005841?
The molecular weight of ChemDiv3_005841 is 420.16 g/mol.
Where can I buy ChemDiv3_005841?
You can request a quote for ChemDiv3_005841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005841?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.