Acoxatrine
TL;DR: Acoxatrine (CAS 748-44-7) is a chemical compound with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenylpiperidin-4-yl]methyl]acetamide
Also Known As: Acoxatrine, Acoxatrina, Acoxatrinum, Acoxatrin, Acoxatrine [INN]
| Molecular Formula | C23H28N2O3 |
|---|---|
| Molecular Weight | 380.21 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.21 |
| Heavy Atoms | 28 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 748-44-7 |
|---|---|
| SMILES | CC(=O)NCC1(CCN(CC1)CC2COC3=CC=CC=C3O2)C4=CC=CC=C4 |
| InChIKey | WSWPNPUMDWOKAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acoxatrine (CAS 748-44-7), with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol. IUPAC: N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenylpiperidin-4-yl]methyl]acetamide.
Chemical Property Profile of Acoxatrine
Property Insights of Acoxatrine
The XLogP value of 3.3 indicates that Acoxatrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, Acoxatrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acoxatrine has 1 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 Acoxatrine?
The CAS number of Acoxatrine is 748-44-7.
What is the molecular formula of Acoxatrine?
The molecular formula of Acoxatrine is C23H28N2O3.
What is the molecular weight of Acoxatrine?
The molecular weight of Acoxatrine is 380.21 g/mol.
Where can I buy Acoxatrine?
You can request a quote for Acoxatrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acoxatrine?
Yes, KEHONG BIO provides custom synthesis services for Acoxatrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.