AO-022/43453082
TL;DR: AO-022/43453082 (CAS 877802-71-6) is a chemical compound with molecular formula C27H27N3O6 and molecular weight 489.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-hydroxy-[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: AO-022/43453082, ethyl 4-[(E)-hydroxy-[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-{[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(3-pyridinylmethyl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C27H27N3O6 |
|---|---|
| Molecular Weight | 489.19 g/mol |
| LogP | 3.83374 |
| Topological Polar Surface Area | 121.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.18997 |
| Heavy Atoms | 36 |
| Complexity | 1359.0835 |
Chemical Identifiers
| CAS Number | 877802-71-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=C4OC)/O)C |
Product Overview
AO-022/43453082 (CAS 877802-71-6), with molecular formula C27H27N3O6 and molecular weight 489.19 g/mol. IUPAC: ethyl 4-[(E)-hydroxy-[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of AO-022/43453082
Property Insights of AO-022/43453082
The XLogP value of 3.83374 indicates that AO-022/43453082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.82 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453082. Following Lipinski's Rule of Five, AO-022/43453082 has 2 hydrogen bond donor(s) and 7 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-022/43453082?
The CAS number of AO-022/43453082 is 877802-71-6.
What is the molecular formula of AO-022/43453082?
The molecular formula of AO-022/43453082 is C27H27N3O6.
What is the molecular weight of AO-022/43453082?
The molecular weight of AO-022/43453082 is 489.19 g/mol.
Where can I buy AO-022/43453082?
You can request a quote for AO-022/43453082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453082?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.