2-acetoxy-enanthic acid
TL;DR: 2-acetoxy-enanthic acid (CAS 64769-68-2) is a chemical compound with molecular formula C22H21N3O2 and molecular weight 359.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-[(dimethylamino)methyl]phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
Also Known As: 2-acetoxy-enanthic acid, NCIStruc1_001905, NCIStruc2_001930, NCI60_003025, 5-methyl-3-phenyl-6-(p-[dimethylaminomethyl]phenyl)-isoxazolo[4,5-c]pyridin-4(5H)-one
| Molecular Formula | C22H21N3O2 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.1634 |
| Heavy Atoms | 27 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 64769-68-2 |
|---|---|
| SMILES | CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)CN(C)C |
| InChIKey | NOHFHPIPRSKJQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-acetoxy-enanthic acid (CAS 64769-68-2), with molecular formula C22H21N3O2 and molecular weight 359.16 g/mol. IUPAC: 6-[4-[(dimethylamino)methyl]phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one.
Chemical Property Profile of 2-acetoxy-enanthic acid
Property Insights of 2-acetoxy-enanthic acid
The XLogP value of 3.1 indicates that 2-acetoxy-enanthic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.6 Ų, 2-acetoxy-enanthic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-acetoxy-enanthic acid 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 2-acetoxy-enanthic acid?
The CAS number of 2-acetoxy-enanthic acid is 64769-68-2.
What is the molecular formula of 2-acetoxy-enanthic acid?
The molecular formula of 2-acetoxy-enanthic acid is C22H21N3O2.
What is the molecular weight of 2-acetoxy-enanthic acid?
The molecular weight of 2-acetoxy-enanthic acid is 359.16 g/mol.
Where can I buy 2-acetoxy-enanthic acid?
You can request a quote for 2-acetoxy-enanthic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetoxy-enanthic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-acetoxy-enanthic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.