AO-081/14456323
TL;DR: AO-081/14456323 (CAS 354791-53-0) is a chemical compound with molecular formula C26H29NO4 and molecular weight 419.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-[(2-phenylmethoxyphenyl)methylidene]pyrrole-3-carboxylate
Also Known As: AO-081/14456323, ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-[(2-phenylmethoxyphenyl)methylidene]pyrrole-3-carboxylate, ethyl 4-[2-(benzyloxy)benzylidene]-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, (Z)-ethyl 4-(2-(benzyloxy)benzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, ethyl (4Z)-4-[2-(benzyloxy)benzylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C26H29NO4 |
|---|---|
| Molecular Weight | 419.21 g/mol |
| LogP | 4.9843 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.20966 |
| Heavy Atoms | 31 |
| Complexity | 1005.07684 |
Chemical Identifiers
| CAS Number | 354791-53-0 |
|---|---|
| SMILES | CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC=CC=C2OCC3=CC=CC=C3)CC(C)C)C |
Product Overview
AO-081/14456323 (CAS 354791-53-0), with molecular formula C26H29NO4 and molecular weight 419.21 g/mol. IUPAC: ethyl (4Z)-2-methyl-1-(2-methylpropyl)-5-oxo-4-[(2-phenylmethoxyphenyl)methylidene]pyrrole-3-carboxylate.
Chemical Property Profile of AO-081/14456323
Property Insights of AO-081/14456323
The XLogP value of 4.9843 indicates that AO-081/14456323 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, AO-081/14456323 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/14456323 has 0 hydrogen bond donor(s) and 4 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-081/14456323?
The CAS number of AO-081/14456323 is 354791-53-0.
What is the molecular formula of AO-081/14456323?
The molecular formula of AO-081/14456323 is C26H29NO4.
What is the molecular weight of AO-081/14456323?
The molecular weight of AO-081/14456323 is 419.21 g/mol.
Where can I buy AO-081/14456323?
You can request a quote for AO-081/14456323 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/14456323?
Yes, KEHONG BIO provides custom synthesis services for AO-081/14456323 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.