AB00667823-01
TL;DR: AB00667823-01 (CAS 302949-22-0) is a chemical compound with molecular formula C23H18N4O2S and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione
Also Known As: AB00667823-01, F0439-0023, AF-399/13374002, 2-[3-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, F0464-0022
| Molecular Formula | C23H18N4O2S |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 4.31189 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.11505 |
| Heavy Atoms | 30 |
| Complexity | 1289.5845 |
Chemical Identifiers
| CAS Number | 302949-22-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
AB00667823-01 (CAS 302949-22-0), with molecular formula C23H18N4O2S and molecular weight 414.12 g/mol. IUPAC: 2-[3-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of AB00667823-01
Property Insights of AB00667823-01
The XLogP value of 4.31189 indicates that AB00667823-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00667823-01. Following Lipinski's Rule of Five, AB00667823-01 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 AB00667823-01?
The CAS number of AB00667823-01 is 302949-22-0.
What is the molecular formula of AB00667823-01?
The molecular formula of AB00667823-01 is C23H18N4O2S.
What is the molecular weight of AB00667823-01?
The molecular weight of AB00667823-01 is 414.12 g/mol.
Where can I buy AB00667823-01?
You can request a quote for AB00667823-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00667823-01?
Yes, KEHONG BIO provides custom synthesis services for AB00667823-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.