AO-022/41399604
TL;DR: AO-022/41399604 (CAS 848683-53-4) is a chemical compound with molecular formula C18H19N5O and molecular weight 321.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: AO-022/41399604, 2-imino-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carbonitrile, 2-imino-10-methyl-5-oxo-1-pentyldipyrido[3,4-c:1',2'-f]pyrimidine-3-carbonitrile, 6-imino-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile, 2-imino-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
| Molecular Formula | C18H19N5O |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 2.49897 |
| Topological Polar Surface Area | 86.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.15897 |
| Heavy Atoms | 24 |
| Complexity | 1084.922 |
Chemical Identifiers
| CAS Number | 848683-53-4 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C1=N)C#N)C(=O)N3C=CC=C(C3=N2)C |
Product Overview
AO-022/41399604 (CAS 848683-53-4), with molecular formula C18H19N5O and molecular weight 321.16 g/mol. IUPAC: 6-imino-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of AO-022/41399604
Property Insights of AO-022/41399604
The XLogP value of 2.49897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/41399604. The TPSA of 86.94 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41399604. Following Lipinski's Rule of Five, AO-022/41399604 has 1 hydrogen bond donor(s) and 4 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-022/41399604?
The CAS number of AO-022/41399604 is 848683-53-4.
What is the molecular formula of AO-022/41399604?
The molecular formula of AO-022/41399604 is C18H19N5O.
What is the molecular weight of AO-022/41399604?
The molecular weight of AO-022/41399604 is 321.16 g/mol.
Where can I buy AO-022/41399604?
You can request a quote for AO-022/41399604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41399604?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41399604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.