AO-081/15245206
TL;DR: AO-081/15245206 (CAS 428505-39-9) is a chemical compound with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (5E)-2-methyl-1-(4-methylphenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxopyrrole-3-carboxylate
Also Known As: AO-081/15245206, methyl (5E)-2-methyl-1-(4-methylphenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxopyrrole-3-carboxylate, methyl (5E)-2-methyl-1-(4-methylphenyl)-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl 5-[(5-{3-nitrophenyl}-2-furyl)methylene]-2-methyl-1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, (E)-methyl 2-methyl-5-((5-(3-nitrophenyl)furan-2-yl)methylene)-4-oxo-1-(p-tolyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C25H20N2O6 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 5.04042 |
| Topological Polar Surface Area | 102.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.13214 |
| Heavy Atoms | 33 |
| Complexity | 1330.9368 |
Chemical Identifiers
| CAS Number | 428505-39-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N\2C(=C(C(=O)/C2=C\C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC)C |
Product Overview
AO-081/15245206 (CAS 428505-39-9), with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol. IUPAC: methyl (5E)-2-methyl-1-(4-methylphenyl)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxopyrrole-3-carboxylate.
Chemical Property Profile of AO-081/15245206
Property Insights of AO-081/15245206
The XLogP value of 5.04042 indicates that AO-081/15245206 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/15245206. Following Lipinski's Rule of Five, AO-081/15245206 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/15245206?
The CAS number of AO-081/15245206 is 428505-39-9.
What is the molecular formula of AO-081/15245206?
The molecular formula of AO-081/15245206 is C25H20N2O6.
What is the molecular weight of AO-081/15245206?
The molecular weight of AO-081/15245206 is 444.13 g/mol.
Where can I buy AO-081/15245206?
You can request a quote for AO-081/15245206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15245206?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15245206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.