AO-022/42398532
TL;DR: AO-022/42398532 (CAS 577988-31-9) is a chemical compound with molecular formula C25H30N4O6 and molecular weight 482.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-4-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: AO-022/42398532, methyl 4-[(E)-hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-4-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-{[4-hydroxy-1-[3-(4-morpholinyl)propyl]-5-oxo-2-(4-pyridinyl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-(4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2-(pyridin-4-yl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(Z)-hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-4-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C25H30N4O6 |
|---|---|
| Molecular Weight | 482.22 g/mol |
| LogP | 1.95714 |
| Topological Polar Surface Area | 125.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.21652 |
| Heavy Atoms | 35 |
| Complexity | 1150.2069 |
Chemical Identifiers
| CAS Number | 577988-31-9 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)/O)C)C(=O)OC |
Product Overview
AO-022/42398532 (CAS 577988-31-9), with molecular formula C25H30N4O6 and molecular weight 482.22 g/mol. IUPAC: methyl 4-[(E)-hydroxy-[1-(3-morpholin-4-ylpropyl)-4,5-dioxo-2-pyridin-4-ylpyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of AO-022/42398532
Property Insights of AO-022/42398532
The XLogP value of 1.95714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/42398532. The TPSA of 125.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42398532. Following Lipinski's Rule of Five, AO-022/42398532 has 2 hydrogen bond donor(s) and 8 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-022/42398532?
The CAS number of AO-022/42398532 is 577988-31-9.
What is the molecular formula of AO-022/42398532?
The molecular formula of AO-022/42398532 is C25H30N4O6.
What is the molecular weight of AO-022/42398532?
The molecular weight of AO-022/42398532 is 482.22 g/mol.
Where can I buy AO-022/42398532?
You can request a quote for AO-022/42398532 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42398532?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42398532 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.