AO-081/15046393
TL;DR: AO-081/15046393 (CAS 1164540-55-9) is a chemical compound with molecular formula C25H26N2O7 and molecular weight 466.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (5E)-1-(3,5-dimethylphenyl)-5-[[5-[[(2-ethoxy-2-oxoacetyl)amino]methyl]furan-2-yl]methylidene]-2-methyl-4-oxopyrrole-3-carboxylate
Also Known As: AO-081/15046393, methyl 1-(3,5-dimethylphenyl)-5-{[5-({[ethoxy(oxo)acetyl]amino}methyl)-2-furyl]methylene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (5E)-1-(3,5-dimethylphenyl)-5-[[5-[[(2-ethoxy-2-oxoacetyl)amino]methyl]furan-2-yl]methylidene]-2-methyl-4-oxopyrrole-3-carboxylate, (E)-methyl 1-(3,5-dimethylphenyl)-5-((5-((2-ethoxy-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C25H26N2O7 |
|---|---|
| Molecular Weight | 466.17 g/mol |
| LogP | 2.95294 |
| Topological Polar Surface Area | 115.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.174 |
| Heavy Atoms | 34 |
| Complexity | 1199.3524 |
Chemical Identifiers
| CAS Number | 1164540-55-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)NCC1=CC=C(O1)/C=C/2\C(=O)C(=C(N2C3=CC(=CC(=C3)C)C)C)C(=O)OC |
Product Overview
AO-081/15046393 (CAS 1164540-55-9), with molecular formula C25H26N2O7 and molecular weight 466.17 g/mol. IUPAC: methyl (5E)-1-(3,5-dimethylphenyl)-5-[[5-[[(2-ethoxy-2-oxoacetyl)amino]methyl]furan-2-yl]methylidene]-2-methyl-4-oxopyrrole-3-carboxylate.
Chemical Property Profile of AO-081/15046393
Property Insights of AO-081/15046393
The XLogP value of 2.95294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/15046393. The TPSA of 115.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/15046393. Following Lipinski's Rule of Five, AO-081/15046393 has 1 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-081/15046393?
The CAS number of AO-081/15046393 is 1164540-55-9.
What is the molecular formula of AO-081/15046393?
The molecular formula of AO-081/15046393 is C25H26N2O7.
What is the molecular weight of AO-081/15046393?
The molecular weight of AO-081/15046393 is 466.17 g/mol.
Where can I buy AO-081/15046393?
You can request a quote for AO-081/15046393 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15046393?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15046393 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.