AO-022/43452729
TL;DR: AO-022/43452729 (CAS 848764-52-3) is a chemical compound with molecular formula C29H31N5O3 and molecular weight 497.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[5-cyano-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]benzamide
Also Known As: AO-022/43452729, (E)-4-(tert-butyl)-N-(3-cyano-1-(3-isopropoxypropyl)-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide, 4-tert-butyl-N-[3-cyano-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]benzamide, 4-Tert-butyl-N-[5-cyano-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]benzamide, 4-tert-butyl-N-{(2E)-3-cyano-5-oxo-1-[3-(propan-2-yloxy)propyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene}benzamide
| Molecular Formula | C29H31N5O3 |
|---|---|
| Molecular Weight | 497.24 g/mol |
| LogP | 4.37458 |
| Topological Polar Surface Area | 101.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.24268 |
| Heavy Atoms | 37 |
| Complexity | 1632.0038 |
Chemical Identifiers
| CAS Number | 848764-52-3 |
|---|---|
| SMILES | CC(C)OCCCN1C2=C(C=C(C1=NC(=O)C3=CC=C(C=C3)C(C)(C)C)C#N)C(=O)N4C=CC=CC4=N2 |
Product Overview
AO-022/43452729 (CAS 848764-52-3), with molecular formula C29H31N5O3 and molecular weight 497.24 g/mol. IUPAC: 4-tert-butyl-N-[5-cyano-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]benzamide.
Chemical Property Profile of AO-022/43452729
Property Insights of AO-022/43452729
The XLogP value of 4.37458 indicates that AO-022/43452729 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-022/43452729. Following Lipinski's Rule of Five, AO-022/43452729 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-022/43452729?
The CAS number of AO-022/43452729 is 848764-52-3.
What is the molecular formula of AO-022/43452729?
The molecular formula of AO-022/43452729 is C29H31N5O3.
What is the molecular weight of AO-022/43452729?
The molecular weight of AO-022/43452729 is 497.24 g/mol.
Where can I buy AO-022/43452729?
You can request a quote for AO-022/43452729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43452729?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43452729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.