AO-022/42017166
TL;DR: AO-022/42017166 (CAS 618364-03-7) is a chemical compound with molecular formula C26H26N2O6 and molecular weight 462.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate
Also Known As: AO-022/42017166, methyl 4-{3-(1-benzofuran-2-ylcarbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate, methyl 4-[3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate, methyl 4-(3-(benzofuran-2-carbonyl)-1-(3-(dimethylamino)propyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
| Molecular Formula | C26H26N2O6 |
|---|---|
| Molecular Weight | 462.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.17908 |
| Heavy Atoms | 34 |
| Complexity | 816.0 |
Chemical Identifiers
| CAS Number | 618364-03-7 |
|---|---|
| SMILES | CN(C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)C(=O)OC |
| InChIKey | HIDMFCFNIYUSSI-UHFFFAOYSA-N |
Product Overview
AO-022/42017166 (CAS 618364-03-7), with molecular formula C26H26N2O6 and molecular weight 462.18 g/mol. IUPAC: methyl 4-[3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate.
Chemical Property Profile of AO-022/42017166
Property Insights of AO-022/42017166
The XLogP value of 4.0 indicates that AO-022/42017166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42017166. Following Lipinski's Rule of Five, AO-022/42017166 has 1 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-022/42017166?
The CAS number of AO-022/42017166 is 618364-03-7.
What is the molecular formula of AO-022/42017166?
The molecular formula of AO-022/42017166 is C26H26N2O6.
What is the molecular weight of AO-022/42017166?
The molecular weight of AO-022/42017166 is 462.18 g/mol.
Where can I buy AO-022/42017166?
You can request a quote for AO-022/42017166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42017166?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42017166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.