AO-022/41399601
TL;DR: AO-022/41399601 (CAS 848680-66-0) is a chemical compound with molecular formula C20H24N4O3 and molecular weight 368.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 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-carboxylate
Also Known As: AO-022/41399601, ethyl 2-imino-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl 2-imino-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, ethyl 2-imino-10-methyl-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C20H24N4O3 |
|---|---|
| Molecular Weight | 368.18 g/mol |
| LogP | 2.80399 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.18484 |
| Heavy Atoms | 27 |
| Complexity | 1127.9553 |
Chemical Identifiers
| CAS Number | 848680-66-0 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C1=N)C(=O)OCC)C(=O)N3C=CC=C(C3=N2)C |
Product Overview
AO-022/41399601 (CAS 848680-66-0), with molecular formula C20H24N4O3 and molecular weight 368.18 g/mol. IUPAC: ethyl 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-carboxylate.
Chemical Property Profile of AO-022/41399601
Property Insights of AO-022/41399601
The XLogP value of 2.80399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/41399601. The TPSA of 89.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41399601. Following Lipinski's Rule of Five, AO-022/41399601 has 1 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-022/41399601?
The CAS number of AO-022/41399601 is 848680-66-0.
What is the molecular formula of AO-022/41399601?
The molecular formula of AO-022/41399601 is C20H24N4O3.
What is the molecular weight of AO-022/41399601?
The molecular weight of AO-022/41399601 is 368.18 g/mol.
Where can I buy AO-022/41399601?
You can request a quote for AO-022/41399601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41399601?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41399601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.