AO-022/43453644
TL;DR: AO-022/43453644 (CAS 902032-47-7) is a chemical compound with molecular formula C21H18ClNO7 and molecular weight 431.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(6-chloro-3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
Also Known As: AO-022/43453644, dimethyl 2-[(6-chloro-3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-{[(6-chloro-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}terephthalate, dimethyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)terephthalate, Dimethyl 2-[(6-chloro-3-methyl-1-oxo-isochroman-3-carbonyl)amino]benzene-1,4-dicarboxylate
| Molecular Formula | C21H18ClNO7 |
|---|---|
| Molecular Weight | 431.08 g/mol |
| LogP | 3.0235 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.07718 |
| Heavy Atoms | 30 |
| Complexity | 1065.3156 |
Chemical Identifiers
| CAS Number | 902032-47-7 |
|---|---|
| SMILES | CC1(CC2=C(C=CC(=C2)Cl)C(=O)O1)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC |
Product Overview
AO-022/43453644 (CAS 902032-47-7), with molecular formula C21H18ClNO7 and molecular weight 431.08 g/mol. IUPAC: dimethyl 2-[(6-chloro-3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of AO-022/43453644
Property Insights of AO-022/43453644
The XLogP value of 3.0235 indicates that AO-022/43453644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453644. Following Lipinski's Rule of Five, AO-022/43453644 has 1 hydrogen bond donor(s) and 7 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-022/43453644?
The CAS number of AO-022/43453644 is 902032-47-7.
What is the molecular formula of AO-022/43453644?
The molecular formula of AO-022/43453644 is C21H18ClNO7.
What is the molecular weight of AO-022/43453644?
The molecular weight of AO-022/43453644 is 431.08 g/mol.
Where can I buy AO-022/43453644?
You can request a quote for AO-022/43453644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453644?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.