Amethobenzepine fumarate
TL;DR: Amethobenzepine fumarate (CAS 747-44-4) is a chemical compound with molecular formula C22H25NO5S and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethylethanamine
Also Known As: Amethobenzepine fumarate, 2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylethylamine fumarate, Ethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethyl-, fumarate (1:1), Ethylamine, 2-[(6,11-dihydrodibenzo[b,e]thiepin-11-yl)oxy]-N,N-dimethyl-, fumarate (1:1), (E)-but-2-enedioic acid; 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethylethanamine
| Molecular Formula | C22H25NO5S |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 3.6717 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.14536 |
| Heavy Atoms | 29 |
| Complexity | 802.2861 |
Chemical Identifiers
| CAS Number | 747-44-4 |
|---|---|
| SMILES | CN(C)CCOC1C2=CC=CC=C2CSC3=CC=CC=C13.C(=C/C(=O)O)\C(=O)O |
Product Overview
Amethobenzepine fumarate (CAS 747-44-4), with molecular formula C22H25NO5S and molecular weight 415.15 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethylethanamine.
Chemical Property Profile of Amethobenzepine fumarate
Property Insights of Amethobenzepine fumarate
The XLogP value of 3.6717 indicates that Amethobenzepine fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Amethobenzepine fumarate. Following Lipinski's Rule of Five, Amethobenzepine fumarate has 2 hydrogen bond donor(s) and 5 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 Amethobenzepine fumarate?
The CAS number of Amethobenzepine fumarate is 747-44-4.
What is the molecular formula of Amethobenzepine fumarate?
The molecular formula of Amethobenzepine fumarate is C22H25NO5S.
What is the molecular weight of Amethobenzepine fumarate?
The molecular weight of Amethobenzepine fumarate is 415.15 g/mol.
Where can I buy Amethobenzepine fumarate?
You can request a quote for Amethobenzepine fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amethobenzepine fumarate?
Yes, KEHONG BIO provides custom synthesis services for Amethobenzepine fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.