AO-022/43454980
TL;DR: AO-022/43454980 (CAS 853753-72-7) is a chemical compound with molecular formula C23H24N4O4S and molecular weight 452.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethylphenyl)sulfonyl-6-imino-7-(2-methoxyethyl)-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-022/43454980, 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(2-methoxyethyl)-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 5-(3,4-Dimethylphenyl)sulfonyl-6-imino-7-(2-methoxyethyl)-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)-2-imino-1-(2-methoxyethyl)-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(2-methoxyethyl)-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C23H24N4O4S |
|---|---|
| Molecular Weight | 452.15 g/mol |
| LogP | 2.53313 |
| Topological Polar Surface Area | 106.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.15182 |
| Heavy Atoms | 32 |
| Complexity | 1600.9244 |
Chemical Identifiers
| CAS Number | 853753-72-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CCOC)C |
Product Overview
AO-022/43454980 (CAS 853753-72-7), with molecular formula C23H24N4O4S and molecular weight 452.15 g/mol. IUPAC: 5-(3,4-dimethylphenyl)sulfonyl-6-imino-7-(2-methoxyethyl)-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-022/43454980
Property Insights of AO-022/43454980
The XLogP value of 2.53313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43454980. The TPSA of 106.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454980. Following Lipinski's Rule of Five, AO-022/43454980 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 AO-022/43454980?
The CAS number of AO-022/43454980 is 853753-72-7.
What is the molecular formula of AO-022/43454980?
The molecular formula of AO-022/43454980 is C23H24N4O4S.
What is the molecular weight of AO-022/43454980?
The molecular weight of AO-022/43454980 is 452.15 g/mol.
Where can I buy AO-022/43454980?
You can request a quote for AO-022/43454980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454980?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.