AO-022/43454906
TL;DR: AO-022/43454906 (CAS 853753-24-9) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethylphenyl)sulfonyl-7-ethyl-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-022/43454906, 3-[(3,4-dimethylphenyl)sulfonyl]-1-ethyl-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 5-(3,4-Dimethylphenyl)sulfonyl-7-ethyl-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one, 3-((3,4-dimethylphenyl)sulfonyl)-1-ethyl-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(3,4-dimethylphenyl)sulfonyl]-1-ethyl-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 2.90663 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1563.9004 |
Chemical Identifiers
| CAS Number | 853753-24-9 |
|---|---|
| SMILES | CCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC(=C(C=C3)C)C)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AO-022/43454906 (CAS 853753-24-9), with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol. IUPAC: 5-(3,4-dimethylphenyl)sulfonyl-7-ethyl-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-022/43454906
Property Insights of AO-022/43454906
The XLogP value of 2.90663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43454906. The TPSA of 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454906. Following Lipinski's Rule of Five, AO-022/43454906 has 1 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 AO-022/43454906?
The CAS number of AO-022/43454906 is 853753-24-9.
What is the molecular formula of AO-022/43454906?
The molecular formula of AO-022/43454906 is C22H22N4O3S.
What is the molecular weight of AO-022/43454906?
The molecular weight of AO-022/43454906 is 422.14 g/mol.
Where can I buy AO-022/43454906?
You can request a quote for AO-022/43454906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454906?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.