AO-022/43453788
TL;DR: AO-022/43453788 (CAS 858754-34-4) is a chemical compound with molecular formula C24H24N4O5 and molecular weight 448.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: AO-022/43453788, Methyl 7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, methyl 1-(3,4-dimethoxyphenethyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, methyl 1-(3,4-dimethoxyphenethyl)-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C24H24N4O5 |
|---|---|
| Molecular Weight | 448.17 g/mol |
| LogP | 2.48359 |
| Topological Polar Surface Area | 107.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.17468 |
| Heavy Atoms | 33 |
| Complexity | 1503.2737 |
Chemical Identifiers
| CAS Number | 858754-34-4 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC(=C(C=C4)OC)OC)C(=O)OC |
Product Overview
AO-022/43453788 (CAS 858754-34-4), with molecular formula C24H24N4O5 and molecular weight 448.17 g/mol. IUPAC: methyl 7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of AO-022/43453788
Property Insights of AO-022/43453788
The XLogP value of 2.48359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43453788. The TPSA of 107.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453788. Following Lipinski's Rule of Five, AO-022/43453788 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-022/43453788?
The CAS number of AO-022/43453788 is 858754-34-4.
What is the molecular formula of AO-022/43453788?
The molecular formula of AO-022/43453788 is C24H24N4O5.
What is the molecular weight of AO-022/43453788?
The molecular weight of AO-022/43453788 is 448.17 g/mol.
Where can I buy AO-022/43453788?
You can request a quote for AO-022/43453788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453788?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.