AO-022/43453688
TL;DR: AO-022/43453688 (CAS 848670-63-3) is a chemical compound with molecular formula C20H17ClN4O4S and molecular weight 444.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfonyl-7-(2-hydroxyethyl)-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: AO-022/43453688, 3-(4-chlorophenyl)sulfonyl-1-(2-hydroxyethyl)-2-imino-10-methyldipyrido[3,4-c:1',2'-f]pyrimidin-5-one, 3-[(4-chlorophenyl)sulfonyl]-1-(2-hydroxyethyl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 5-(4-Chlorophenyl)sulfonyl-7-(2-hydroxyethyl)-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one, 3-((4-chlorophenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C20H17ClN4O4S |
|---|---|
| Molecular Weight | 444.07 g/mol |
| LogP | 1.91559 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.06592 |
| Heavy Atoms | 30 |
| Complexity | 1523.5156 |
Chemical Identifiers
| CAS Number | 848670-63-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCO)S(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
AO-022/43453688 (CAS 848670-63-3), with molecular formula C20H17ClN4O4S and molecular weight 444.07 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-7-(2-hydroxyethyl)-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of AO-022/43453688
Property Insights of AO-022/43453688
The XLogP value of 1.91559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43453688. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453688. Following Lipinski's Rule of Five, AO-022/43453688 has 2 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 AO-022/43453688?
The CAS number of AO-022/43453688 is 848670-63-3.
What is the molecular formula of AO-022/43453688?
The molecular formula of AO-022/43453688 is C20H17ClN4O4S.
What is the molecular weight of AO-022/43453688?
The molecular weight of AO-022/43453688 is 444.07 g/mol.
Where can I buy AO-022/43453688?
You can request a quote for AO-022/43453688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453688?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.