N-Acetylamoxapine
TL;DR: N-Acetylamoxapine (CAS 126588-76-9) is a chemical compound with molecular formula C19H18ClN3O2 and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(8-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]ethanone
Also Known As: N-Acetylamoxapine, Amoxapine acetate II., 1-[4-(8-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]ethanone, 11-(4-Acetyl-1-piperazinyl)-2-chlorodibenzo[b,f][1,4]oxazepine #, Piperazine, 1-acetyl-4-(2-chlorodibenz(b,f)(1,4)oxazepin-11-yl)-
| Molecular Formula | C19H18ClN3O2 |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.10876 |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 126588-76-9 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl |
| InChIKey | DJLYJAUDFYYWCM-UHFFFAOYSA-N |
Product Overview
N-Acetylamoxapine (CAS 126588-76-9), with molecular formula C19H18ClN3O2 and molecular weight 355.11 g/mol. IUPAC: 1-[4-(8-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]ethanone.
Chemical Property Profile of N-Acetylamoxapine
Property Insights of N-Acetylamoxapine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetylamoxapine. With a topological polar surface area (TPSA) of 45.1 Ų, N-Acetylamoxapine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetylamoxapine has 0 hydrogen bond donor(s) and 3 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 N-Acetylamoxapine?
The CAS number of N-Acetylamoxapine is 126588-76-9.
What is the molecular formula of N-Acetylamoxapine?
The molecular formula of N-Acetylamoxapine is C19H18ClN3O2.
What is the molecular weight of N-Acetylamoxapine?
The molecular weight of N-Acetylamoxapine is 355.11 g/mol.
Where can I buy N-Acetylamoxapine?
You can request a quote for N-Acetylamoxapine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylamoxapine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylamoxapine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.