AO-022/43454643
TL;DR: AO-022/43454643 (CAS 902029-46-3) is a chemical compound with molecular formula C22H21NO7 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(3,6-dimethyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
Also Known As: AO-022/43454643, dimethyl 2-[(3,6-dimethyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-{[(3,6-dimethyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}terephthalate, dimethyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)terephthalate, dimethyl 2-{[(3,6-dimethyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzene-1,4-dicarboxylate
| Molecular Formula | C22H21NO7 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 2.67852 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1318 |
| Heavy Atoms | 30 |
| Complexity | 1059.4468 |
Chemical Identifiers
| CAS Number | 902029-46-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC |
Product Overview
AO-022/43454643 (CAS 902029-46-3), with molecular formula C22H21NO7 and molecular weight 411.13 g/mol. IUPAC: dimethyl 2-[(3,6-dimethyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of AO-022/43454643
Property Insights of AO-022/43454643
The XLogP value of 2.67852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43454643. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454643. Following Lipinski's Rule of Five, AO-022/43454643 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-022/43454643?
The CAS number of AO-022/43454643 is 902029-46-3.
What is the molecular formula of AO-022/43454643?
The molecular formula of AO-022/43454643 is C22H21NO7.
What is the molecular weight of AO-022/43454643?
The molecular weight of AO-022/43454643 is 411.13 g/mol.
Where can I buy AO-022/43454643?
You can request a quote for AO-022/43454643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454643?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.