AB00668943-01
TL;DR: AB00668943-01 (CAS 862807-10-1) is a chemical compound with molecular formula C20H20N4O4S2 and molecular weight 444.09 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-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
Also Known As: AB00668943-01, F0593-0131, 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(5-((methylthio)methyl)-1,3,4-oxadiazol-2-yl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide, N-{5-[(methylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
| Molecular Formula | C20H20N4O4S2 |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 2.9319 |
| Topological Polar Surface Area | 105.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.0926 |
| Heavy Atoms | 30 |
| Complexity | 1159.5594 |
Chemical Identifiers
| CAS Number | 862807-10-1 |
|---|---|
| SMILES | CSCC1=NN=C(O1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3 |
Product Overview
AB00668943-01 (CAS 862807-10-1), with molecular formula C20H20N4O4S2 and molecular weight 444.09 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.
Chemical Property Profile of AB00668943-01
Property Insights of AB00668943-01
The XLogP value of 2.9319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00668943-01. The TPSA of 105.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668943-01. Following Lipinski's Rule of Five, AB00668943-01 has 1 hydrogen bond donor(s) and 7 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 AB00668943-01?
The CAS number of AB00668943-01 is 862807-10-1.
What is the molecular formula of AB00668943-01?
The molecular formula of AB00668943-01 is C20H20N4O4S2.
What is the molecular weight of AB00668943-01?
The molecular weight of AB00668943-01 is 444.09 g/mol.
Where can I buy AB00668943-01?
You can request a quote for AB00668943-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668943-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668943-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.