AO-022/43454046
TL;DR: AO-022/43454046 (CAS 858765-83-0) is a chemical compound with molecular formula C23H23N5O3 and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-N-[(4-methoxyphenyl)methyl]-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AO-022/43454046, 2-imino-1-isopropyl-N-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 2-imino-N-[(4-methoxyphenyl)methyl]-5-oxo-1-propan-2-yldipyrido[1,2-d:3',4'-f]pyrimidine-3-carboxamide, 6-Imino-N-[(4-methoxyphenyl)methyl]-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-imino-1-isopropyl-N-(4-methoxybenzyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C23H23N5O3 |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 2.64817 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.18008 |
| Heavy Atoms | 31 |
| Complexity | 1401.4237 |
Chemical Identifiers
| CAS Number | 858765-83-0 |
|---|---|
| SMILES | CC(C)N1C2=C(C=C(C1=N)C(=O)NCC3=CC=C(C=C3)OC)C(=O)N4C=CC=CC4=N2 |
Product Overview
AO-022/43454046 (CAS 858765-83-0), with molecular formula C23H23N5O3 and molecular weight 417.18 g/mol. IUPAC: 6-imino-N-[(4-methoxyphenyl)methyl]-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of AO-022/43454046
Property Insights of AO-022/43454046
The XLogP value of 2.64817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43454046. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454046. Following Lipinski's Rule of Five, AO-022/43454046 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-022/43454046?
The CAS number of AO-022/43454046 is 858765-83-0.
What is the molecular formula of AO-022/43454046?
The molecular formula of AO-022/43454046 is C23H23N5O3.
What is the molecular weight of AO-022/43454046?
The molecular weight of AO-022/43454046 is 417.18 g/mol.
Where can I buy AO-022/43454046?
You can request a quote for AO-022/43454046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454046?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.