AO-022/42490341
TL;DR: AO-022/42490341 (CAS 628274-86-2) is a chemical compound with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-7-[(4-methoxyphenyl)methyl]-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AO-022/42490341, 2-imino-1-(4-methoxybenzyl)-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 6-Imino-7-[(4-methoxyphenyl)methyl]-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, {2-imino-1-[(4-methoxyphenyl)methyl]-5-oxo(1,6-dihydropyridino[1,2-a]pyridino[ 2,3-d]pyrimidin-3-yl)}-N-methylcarboxamide, 2-imino-1-(4-methoxybenzyl)-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C21H19N5O3 |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 1.54517 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1488 |
| Heavy Atoms | 29 |
| Complexity | 1353.3633 |
Chemical Identifiers
| CAS Number | 628274-86-2 |
|---|---|
| SMILES | CNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CC=C(C=C4)OC |
Product Overview
AO-022/42490341 (CAS 628274-86-2), with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol. IUPAC: 6-imino-7-[(4-methoxyphenyl)methyl]-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of AO-022/42490341
Property Insights of AO-022/42490341
The XLogP value of 1.54517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/42490341. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42490341. Following Lipinski's Rule of Five, AO-022/42490341 has 2 hydrogen bond donor(s) and 5 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-022/42490341?
The CAS number of AO-022/42490341 is 628274-86-2.
What is the molecular formula of AO-022/42490341?
The molecular formula of AO-022/42490341 is C21H19N5O3.
What is the molecular weight of AO-022/42490341?
The molecular weight of AO-022/42490341 is 389.15 g/mol.
Where can I buy AO-022/42490341?
You can request a quote for AO-022/42490341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42490341?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42490341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.