AO-022/43455169
TL;DR: AO-022/43455169 (CAS 845807-85-4) is a chemical compound with molecular formula C28H29N5O3 and molecular weight 483.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-11-methyl-2-oxo-7-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3,4-dimethylbenzamide
Also Known As: AO-022/43455169, (E)-N-(3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-3,4-dimethylbenzamide, N-[5-Cyano-11-methyl-2-oxo-7-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3,4-dimethylbenzamide, N-[3-cyano-1-(3-isopropoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]-3,4-dimethylbenzamide, N-{(2E)-3-cyano-10-methyl-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene}-3,4-dimethylbenzamide
| Molecular Formula | C28H29N5O3 |
|---|---|
| Molecular Weight | 483.23 g/mol |
| LogP | 4.00234 |
| Topological Polar Surface Area | 101.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.22705 |
| Heavy Atoms | 36 |
| Complexity | 1654.8969 |
Chemical Identifiers
| CAS Number | 845807-85-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N=C2C(=CC3=C(N2CCCOC(C)C)N=C4C(=CC=CN4C3=O)C)C#N)C |
Product Overview
AO-022/43455169 (CAS 845807-85-4), with molecular formula C28H29N5O3 and molecular weight 483.23 g/mol. IUPAC: N-[5-cyano-11-methyl-2-oxo-7-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-3,4-dimethylbenzamide.
Chemical Property Profile of AO-022/43455169
Property Insights of AO-022/43455169
The XLogP value of 4.00234 indicates that AO-022/43455169 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43455169. Following Lipinski's Rule of Five, AO-022/43455169 has 0 hydrogen bond donor(s) and 5 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-022/43455169?
The CAS number of AO-022/43455169 is 845807-85-4.
What is the molecular formula of AO-022/43455169?
The molecular formula of AO-022/43455169 is C28H29N5O3.
What is the molecular weight of AO-022/43455169?
The molecular weight of AO-022/43455169 is 483.23 g/mol.
Where can I buy AO-022/43455169?
You can request a quote for AO-022/43455169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43455169?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43455169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.