AB00668409-01
TL;DR: AB00668409-01 (CAS 533869-60-2) is a chemical compound with molecular formula C24H19FN4O4S and molecular weight 478.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
Also Known As: AB00668409-01, F0559-0111, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
| Molecular Formula | C24H19FN4O4S |
|---|---|
| Molecular Weight | 478.11 g/mol |
| LogP | 3.875 |
| Topological Polar Surface Area | 105.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.1111 |
| Heavy Atoms | 34 |
| Complexity | 1451.0935 |
Chemical Identifiers
| CAS Number | 533869-60-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NN=C(O4)C5=CC=C(C=C5)F |
Product Overview
AB00668409-01 (CAS 533869-60-2), with molecular formula C24H19FN4O4S and molecular weight 478.11 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
Chemical Property Profile of AB00668409-01
Property Insights of AB00668409-01
The XLogP value of 3.875 indicates that AB00668409-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668409-01. Following Lipinski's Rule of Five, AB00668409-01 has 1 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 AB00668409-01?
The CAS number of AB00668409-01 is 533869-60-2.
What is the molecular formula of AB00668409-01?
The molecular formula of AB00668409-01 is C24H19FN4O4S.
What is the molecular weight of AB00668409-01?
The molecular weight of AB00668409-01 is 478.11 g/mol.
Where can I buy AB00668409-01?
You can request a quote for AB00668409-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668409-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668409-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.