AN-023/42399386
TL;DR: AN-023/42399386 (CAS 454666-55-8) is a chemical compound with molecular formula C23H20N4OS2 and molecular weight 432.11 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-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: AN-023/42399386, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl 4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl sulfide
| Molecular Formula | C23H20N4OS2 |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 4.6728 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.10785 |
| Heavy Atoms | 30 |
| Complexity | 1155.1869 |
Chemical Identifiers
| CAS Number | 454666-55-8 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5 |
Product Overview
AN-023/42399386 (CAS 454666-55-8), with molecular formula C23H20N4OS2 and molecular weight 432.11 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of AN-023/42399386
Property Insights of AN-023/42399386
The XLogP value of 4.6728 indicates that AN-023/42399386 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, AN-023/42399386 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-023/42399386 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 AN-023/42399386?
The CAS number of AN-023/42399386 is 454666-55-8.
What is the molecular formula of AN-023/42399386?
The molecular formula of AN-023/42399386 is C23H20N4OS2.
What is the molecular weight of AN-023/42399386?
The molecular weight of AN-023/42399386 is 432.11 g/mol.
Where can I buy AN-023/42399386?
You can request a quote for AN-023/42399386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-023/42399386?
Yes, KEHONG BIO provides custom synthesis services for AN-023/42399386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.