AO-022/43454876
TL;DR: AO-022/43454876 (CAS 844455-95-4) is a chemical compound with molecular formula C25H26N4O4S and molecular weight 478.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 11-methyl-2-oxo-7-pentyl-6-(thiophene-2-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: AO-022/43454876, ethyl 10-methyl-5-oxo-1-pentyl-2-[(2-thienylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, Ethyl 11-methyl-2-oxo-7-pentyl-6-(thiophene-2-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, (Z)-ethyl 10-methyl-5-oxo-1-pentyl-2-((thiophene-2-carbonyl)imino)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-10-methyl-5-oxo-1-pentyl-2-[(thiophen-2-ylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C25H26N4O4S |
|---|---|
| Molecular Weight | 478.17 g/mol |
| LogP | 4.12712 |
| Topological Polar Surface Area | 95.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.16748 |
| Heavy Atoms | 34 |
| Complexity | 1499.6571 |
Chemical Identifiers
| CAS Number | 844455-95-4 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C1=NC(=O)C3=CC=CS3)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AO-022/43454876 (CAS 844455-95-4), with molecular formula C25H26N4O4S and molecular weight 478.17 g/mol. IUPAC: ethyl 11-methyl-2-oxo-7-pentyl-6-(thiophene-2-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of AO-022/43454876
Property Insights of AO-022/43454876
The XLogP value of 4.12712 indicates that AO-022/43454876 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454876. Following Lipinski's Rule of Five, AO-022/43454876 has 0 hydrogen bond donor(s) and 6 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-022/43454876?
The CAS number of AO-022/43454876 is 844455-95-4.
What is the molecular formula of AO-022/43454876?
The molecular formula of AO-022/43454876 is C25H26N4O4S.
What is the molecular weight of AO-022/43454876?
The molecular weight of AO-022/43454876 is 478.17 g/mol.
Where can I buy AO-022/43454876?
You can request a quote for AO-022/43454876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454876?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.