AO-022/43453405
TL;DR: AO-022/43453405 (CAS 845649-45-8) is a chemical compound with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-7-(3-methoxypropyl)-11-methyl-N-(2-methylpropyl)-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-022/43453405, 2-imino-N-isobutyl-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 6-Imino-7-(3-methoxypropyl)-11-methyl-N-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-imino-1-(3-methoxypropyl)-10-methyl-N-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-IMINO-N-ISOBUTYL-1-(3-METHOXYPROPYL)-10-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C21H27N5O3 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | 1.85939 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.2114 |
| Heavy Atoms | 29 |
| Complexity | 1176.8423 |
Chemical Identifiers
| CAS Number | 845649-45-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)NCC(C)C |
Product Overview
AO-022/43453405 (CAS 845649-45-8), with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol. IUPAC: 6-imino-7-(3-methoxypropyl)-11-methyl-N-(2-methylpropyl)-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-022/43453405
Property Insights of AO-022/43453405
The XLogP value of 1.85939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43453405. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453405. Following Lipinski's Rule of Five, AO-022/43453405 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-022/43453405?
The CAS number of AO-022/43453405 is 845649-45-8.
What is the molecular formula of AO-022/43453405?
The molecular formula of AO-022/43453405 is C21H27N5O3.
What is the molecular weight of AO-022/43453405?
The molecular weight of AO-022/43453405 is 397.21 g/mol.
Where can I buy AO-022/43453405?
You can request a quote for AO-022/43453405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453405?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.