AO-022/43455278
TL;DR: AO-022/43455278 (CAS 846598-34-3) is a chemical compound with molecular formula C26H29N5O4 and molecular weight 475.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-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-022/43455278, N-Butyl-7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, N-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-butyl-1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
| Molecular Formula | C26H29N5O4 |
|---|---|
| Molecular Weight | 475.22 g/mol |
| LogP | 2.91847 |
| Topological Polar Surface Area | 110.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.22195 |
| Heavy Atoms | 35 |
| Complexity | 1505.9161 |
Chemical Identifiers
| CAS Number | 846598-34-3 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CCC4=CC(=C(C=C4)OC)OC |
Product Overview
AO-022/43455278 (CAS 846598-34-3), with molecular formula C26H29N5O4 and molecular weight 475.22 g/mol. IUPAC: N-butyl-7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-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-022/43455278
Property Insights of AO-022/43455278
The XLogP value of 2.91847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43455278. The TPSA of 110.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43455278. Following Lipinski's Rule of Five, AO-022/43455278 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-022/43455278?
The CAS number of AO-022/43455278 is 846598-34-3.
What is the molecular formula of AO-022/43455278?
The molecular formula of AO-022/43455278 is C26H29N5O4.
What is the molecular weight of AO-022/43455278?
The molecular weight of AO-022/43455278 is 475.22 g/mol.
Where can I buy AO-022/43455278?
You can request a quote for AO-022/43455278 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43455278?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43455278 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.