AP-845/42065368
TL;DR: AP-845/42065368 (CAS 573932-11-3) is a chemical compound with molecular formula C22H20ClN3O4S and molecular weight 457.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-8-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
Also Known As: AP-845/42065368, 7-chloro-8-[3-(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]-2,3-dihydro[1,4]dioxino[2,3-g]quinoline, 7-chloro-8-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline, 7-chloro-8-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
| Molecular Formula | C22H20ClN3O4S |
|---|---|
| Molecular Weight | 457.09 g/mol |
| LogP | 4.07852 |
| Topological Polar Surface Area | 81.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.0863 |
| Heavy Atoms | 31 |
| Complexity | 1322.8306 |
Chemical Identifiers
| CAS Number | 573932-11-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=C5C(=CC4=C3)OCCO5)Cl)S(=O)(=O)C |
Product Overview
AP-845/42065368 (CAS 573932-11-3), with molecular formula C22H20ClN3O4S and molecular weight 457.09 g/mol. IUPAC: 7-chloro-8-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline.
Chemical Property Profile of AP-845/42065368
Property Insights of AP-845/42065368
The XLogP value of 4.07852 indicates that AP-845/42065368 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-845/42065368. Following Lipinski's Rule of Five, AP-845/42065368 has 0 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 AP-845/42065368?
The CAS number of AP-845/42065368 is 573932-11-3.
What is the molecular formula of AP-845/42065368?
The molecular formula of AP-845/42065368 is C22H20ClN3O4S.
What is the molecular weight of AP-845/42065368?
The molecular weight of AP-845/42065368 is 457.09 g/mol.
Where can I buy AP-845/42065368?
You can request a quote for AP-845/42065368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-845/42065368?
Yes, KEHONG BIO provides custom synthesis services for AP-845/42065368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.