AO-022/43454133
TL;DR: AO-022/43454133 (CAS 956435-60-2) is a chemical compound with molecular formula C24H25N3O4 and molecular weight 419.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2S,3R,8S)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carbonyl]amino]benzoate
Also Known As: AO-022/43454133, ethyl 4-((2'S,3R,7a'S)-2-oxo-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizin]-2'-ylcarboxamido)benzoate, ethyl 4-({[(2'S,3R,7a'S)-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizin]-2'-yl]carbonyl}amino)benzoate, ethyl 4-[[(2S,3R,8S)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carbonyl]amino]benzoate, ethyl 4-{[1,1',2,2',5',6',7',7'a-octahydro-2-oxospiro(indole-3,3'-pyrrolizine)-2'-ylcarbonyl]amino}benzoate
| Molecular Formula | C24H25N3O4 |
|---|---|
| Molecular Weight | 419.18 g/mol |
| LogP | 3.1337 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.1845 |
| Heavy Atoms | 31 |
| Complexity | 1051.0449 |
Chemical Identifiers
| CAS Number | 956435-60-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2C[C@@H]3CCCN3[C@@]24C5=CC=CC=C5NC4=O |
Product Overview
AO-022/43454133 (CAS 956435-60-2), with molecular formula C24H25N3O4 and molecular weight 419.18 g/mol. IUPAC: ethyl 4-[[(2S,3R,8S)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carbonyl]amino]benzoate.
Chemical Property Profile of AO-022/43454133
Property Insights of AO-022/43454133
The XLogP value of 3.1337 indicates that AO-022/43454133 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454133. Following Lipinski's Rule of Five, AO-022/43454133 has 2 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-022/43454133?
The CAS number of AO-022/43454133 is 956435-60-2.
What is the molecular formula of AO-022/43454133?
The molecular formula of AO-022/43454133 is C24H25N3O4.
What is the molecular weight of AO-022/43454133?
The molecular weight of AO-022/43454133 is 419.18 g/mol.
Where can I buy AO-022/43454133?
You can request a quote for AO-022/43454133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454133?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.