AO-022/42863974
TL;DR: AO-022/42863974 (CAS 607383-36-8) 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-butan-2-yl-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-022/42863974, 1-sec-butyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-(butan-2-yl)-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-(sec-butyl)-3-((4-chlorophenyl)sulfonyl)-2-imino-8-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 1-(SEC-BUTYL)-3-[(4-CHLOROPHENYL)SULFONYL]-2-IMINO-8-METHYL-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE
| Molecular Formula | C22H21ClN4O3S |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 3.89429 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.1023 |
| Heavy Atoms | 31 |
| Complexity | 1554.7787 |
Chemical Identifiers
| CAS Number | 607383-36-8 |
|---|---|
| SMILES | CCC(C)N1C2=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-022/42863974 (CAS 607383-36-8), with molecular formula C22H21ClN4O3S and molecular weight 456.10 g/mol. IUPAC: 7-butan-2-yl-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-022/42863974
Property Insights of AO-022/42863974
The XLogP value of 3.89429 indicates that AO-022/42863974 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-022/42863974. Following Lipinski's Rule of Five, AO-022/42863974 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-022/42863974?
The CAS number of AO-022/42863974 is 607383-36-8.
What is the molecular formula of AO-022/42863974?
The molecular formula of AO-022/42863974 is C22H21ClN4O3S.
What is the molecular weight of AO-022/42863974?
The molecular weight of AO-022/42863974 is 456.10 g/mol.
Where can I buy AO-022/42863974?
You can request a quote for AO-022/42863974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42863974?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42863974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.