AO-022/43454498
TL;DR: AO-022/43454498 (CAS 843629-94-7) is a chemical compound with molecular formula C25H27N5O4 and molecular weight 461.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-6-imino-11-methyl-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-022/43454498, 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 7-[2-(3,4-Dimethoxyphenyl)ethyl]-N-ethyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 1-(3,4-dimethoxyphenethyl)-N-ethyl-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C25H27N5O4 |
|---|---|
| Molecular Weight | 461.21 g/mol |
| LogP | 2.44669 |
| Topological Polar Surface Area | 110.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.2063 |
| Heavy Atoms | 34 |
| Complexity | 1520.2952 |
Chemical Identifiers
| CAS Number | 843629-94-7 |
|---|---|
| SMILES | CCNC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CCC4=CC(=C(C=C4)OC)OC |
Product Overview
AO-022/43454498 (CAS 843629-94-7), with molecular formula C25H27N5O4 and molecular weight 461.21 g/mol. IUPAC: 7-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-6-imino-11-methyl-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-022/43454498
Property Insights of AO-022/43454498
The XLogP value of 2.44669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43454498. The TPSA of 110.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454498. Following Lipinski's Rule of Five, AO-022/43454498 has 2 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-022/43454498?
The CAS number of AO-022/43454498 is 843629-94-7.
What is the molecular formula of AO-022/43454498?
The molecular formula of AO-022/43454498 is C25H27N5O4.
What is the molecular weight of AO-022/43454498?
The molecular weight of AO-022/43454498 is 461.21 g/mol.
Where can I buy AO-022/43454498?
You can request a quote for AO-022/43454498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454498?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.