AO-022/43453673
TL;DR: AO-022/43453673 (CAS 848058-35-5) is a chemical compound with molecular formula C27H31N5O4 and molecular weight 489.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butyl-N-[2-(3,4-dimethoxyphenyl)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-022/43453673, 1-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 1-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 7-Butyl-N-[2-(3,4-dimethoxyphenyl)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-butyl-N-(3,4-dimethoxyphenethyl)-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C27H31N5O4 |
|---|---|
| Molecular Weight | 489.24 g/mol |
| LogP | 3.22689 |
| Topological Polar Surface Area | 110.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.2376 |
| Heavy Atoms | 36 |
| Complexity | 1554.3683 |
Chemical Identifiers
| CAS Number | 848058-35-5 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=N)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AO-022/43453673 (CAS 848058-35-5), with molecular formula C27H31N5O4 and molecular weight 489.24 g/mol. IUPAC: 7-butyl-N-[2-(3,4-dimethoxyphenyl)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-022/43453673
Property Insights of AO-022/43453673
The XLogP value of 3.22689 indicates that AO-022/43453673 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453673. Following Lipinski's Rule of Five, AO-022/43453673 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-022/43453673?
The CAS number of AO-022/43453673 is 848058-35-5.
What is the molecular formula of AO-022/43453673?
The molecular formula of AO-022/43453673 is C27H31N5O4.
What is the molecular weight of AO-022/43453673?
The molecular weight of AO-022/43453673 is 489.24 g/mol.
Where can I buy AO-022/43453673?
You can request a quote for AO-022/43453673 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453673?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453673 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.