AO-022/43455186
TL;DR: AO-022/43455186 (CAS 845904-37-2) is a chemical compound with molecular formula C27H27N5O2 and molecular weight 453.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(5-cyano-11-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)benzamide
Also Known As: AO-022/43455186, (E)-4-(tert-butyl)-N-(3-cyano-10-methyl-5-oxo-1-propyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide, 4-tert-butyl-N-(3-cyano-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene)benzamide, 4-tert-butyl-N-[(2E)-3-cyano-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]benzamide
| Molecular Formula | C27H27N5O2 |
|---|---|
| Molecular Weight | 453.22 g/mol |
| LogP | 4.2779 |
| Topological Polar Surface Area | 92.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.21646 |
| Heavy Atoms | 34 |
| Complexity | 1594.1748 |
Chemical Identifiers
| CAS Number | 845904-37-2 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C1=NC(=O)C3=CC=C(C=C3)C(C)(C)C)C#N)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AO-022/43455186 (CAS 845904-37-2), with molecular formula C27H27N5O2 and molecular weight 453.22 g/mol. IUPAC: 4-tert-butyl-N-(5-cyano-11-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene)benzamide.
Chemical Property Profile of AO-022/43455186
Property Insights of AO-022/43455186
The XLogP value of 4.2779 indicates that AO-022/43455186 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43455186. Following Lipinski's Rule of Five, AO-022/43455186 has 0 hydrogen bond donor(s) and 4 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-022/43455186?
The CAS number of AO-022/43455186 is 845904-37-2.
What is the molecular formula of AO-022/43455186?
The molecular formula of AO-022/43455186 is C27H27N5O2.
What is the molecular weight of AO-022/43455186?
The molecular weight of AO-022/43455186 is 453.22 g/mol.
Where can I buy AO-022/43455186?
You can request a quote for AO-022/43455186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43455186?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43455186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.