AO-022/43454401
TL;DR: AO-022/43454401 (CAS 848683-32-9) is a chemical compound with molecular formula C25H22F2N4O5 and molecular weight 496.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2,6-difluorobenzoyl)imino-7-(2-methoxyethyl)-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-022/43454401, ethyl 2-[(2,6-difluorobenzoyl)imino]-1-(2-methoxyethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, Ethyl 6-(2,6-difluorobenzoyl)imino-7-(2-methoxyethyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, (Z)-ethyl 2-((2,6-difluorobenzoyl)imino)-1-(2-methoxyethyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-2-{[(2,6-difluorophenyl)carbonyl]imino}-1-(2-methoxyethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C25H22F2N4O5 |
|---|---|
| Molecular Weight | 496.16 g/mol |
| LogP | 2.80002 |
| Topological Polar Surface Area | 104.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.15582 |
| Heavy Atoms | 36 |
| Complexity | 1621.8685 |
Chemical Identifiers
| CAS Number | 848683-32-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=NC(=O)C4=C(C=CC=C4F)F)CCOC |
Product Overview
AO-022/43454401 (CAS 848683-32-9), with molecular formula C25H22F2N4O5 and molecular weight 496.16 g/mol. IUPAC: ethyl 6-(2,6-difluorobenzoyl)imino-7-(2-methoxyethyl)-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-022/43454401
Property Insights of AO-022/43454401
The XLogP value of 2.80002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43454401. The TPSA of 104.26 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454401. Following Lipinski's Rule of Five, AO-022/43454401 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 AO-022/43454401?
The CAS number of AO-022/43454401 is 848683-32-9.
What is the molecular formula of AO-022/43454401?
The molecular formula of AO-022/43454401 is C25H22F2N4O5.
What is the molecular weight of AO-022/43454401?
The molecular weight of AO-022/43454401 is 496.16 g/mol.
Where can I buy AO-022/43454401?
You can request a quote for AO-022/43454401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454401?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.