阿莫沙平
TL;DR: 阿莫沙平 (CAS 14028-44-5) is a chemical compound with molecular formula C17H16ClN3O and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿莫沙平
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
Also Known As: amoxapine, Asendin, Demolox, Amoxan, Moxadil
| Molecular Formula | C17H16ClN3O |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.09818 |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
| Melting Point | 175-176 |
| Solubility | 1.71e-01 g/L |
Chemical Identifiers
| CAS Number | 14028-44-5 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl |
| InChIKey | QWGDMFLQWFTERH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿莫沙平 (CAS 14028-44-5), with molecular formula C17H16ClN3O and molecular weight 313.10 g/mol. IUPAC: 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine.
Chemical Property Profile of 阿莫沙平
Property Insights of 阿莫沙平
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿莫沙平. With a topological polar surface area (TPSA) of 36.9 Ų, 阿莫沙平 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿莫沙平 has 1 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 阿莫沙平?
The CAS number of 阿莫沙平 is 14028-44-5.
What is the molecular formula of 阿莫沙平?
The molecular formula of 阿莫沙平 is C17H16ClN3O.
What is the molecular weight of 阿莫沙平?
The molecular weight of 阿莫沙平 is 313.10 g/mol.
Where can I buy 阿莫沙平?
You can request a quote for 阿莫沙平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿莫沙平?
Yes, KEHONG BIO provides custom synthesis services for 阿莫沙平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.