AO-022/42864006
TL;DR: AO-022/42864006 (CAS 606962-76-9) is a chemical compound with molecular formula C22H21ClN4O3S and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-5-(4-chlorophenyl)sulfonyl-6-imino-13-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: AO-022/42864006, 1-butyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-butyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 7-Butyl-5-(4-chlorophenyl)sulfonyl-6-imino-13-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one, 1-butyl-3-((4-chlorophenyl)sulfonyl)-2-imino-8-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C22H21ClN4O3S |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 3.72339 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.1023 |
| Heavy Atoms | 31 |
| Complexity | 1538.1097 |
Chemical Identifiers
| CAS Number | 606962-76-9 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N4C=C(C=CC4=N2)C |
Product Overview
AO-022/42864006 (CAS 606962-76-9), with molecular formula C22H21ClN4O3S and molecular weight 456.10 g/mol. IUPAC: 7-butyl-5-(4-chlorophenyl)sulfonyl-6-imino-13-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-022/42864006
Property Insights of AO-022/42864006
The XLogP value of 3.72339 indicates that AO-022/42864006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42864006. Following Lipinski's Rule of Five, AO-022/42864006 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-022/42864006?
The CAS number of AO-022/42864006 is 606962-76-9.
What is the molecular formula of AO-022/42864006?
The molecular formula of AO-022/42864006 is C22H21ClN4O3S.
What is the molecular weight of AO-022/42864006?
The molecular weight of AO-022/42864006 is 456.10 g/mol.
Where can I buy AO-022/42864006?
You can request a quote for AO-022/42864006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42864006?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42864006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.