3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate
TL;DR: 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate (CAS 861-47-2) is a chemical compound with molecular formula C23H27NO5S and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethylpropan-1-amine
Also Known As: 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate, Propylamine, 3-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethyl-, fumarate (1:1), (e)-but-2-enedioic Acid,3-(6,11-dihydrobenzo[c][1]benzothiep, (E)-but-2-enedioic acid; 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethylpropan-1-amine, RefChem:1097039
| Molecular Formula | C23H27NO5S |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 4.0618 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.16098 |
| Heavy Atoms | 30 |
| Complexity | 817.9021 |
Chemical Identifiers
| CAS Number | 861-47-2 |
|---|---|
| SMILES | CN(C)CCCOC1C2=CC=CC=C2CSC3=CC=CC=C13.C(=C/C(=O)O)\C(=O)O |
Product Overview
3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate (CAS 861-47-2), with molecular formula C23H27NO5S and molecular weight 429.16 g/mol. IUPAC: (E)-but-2-enedioic acid;3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate
Property Insights of 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate
The XLogP value of 4.0618 indicates that 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine 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 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate. Following Lipinski's Rule of Five, 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine 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 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate?
The CAS number of 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate is 861-47-2.
What is the molecular formula of 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate?
The molecular formula of 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate is C23H27NO5S.
What is the molecular weight of 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate?
The molecular weight of 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate is 429.16 g/mol.
Where can I buy 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate?
You can request a quote for 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate?
Yes, KEHONG BIO provides custom synthesis services for 3-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)-N,N-dimethylpropylamine fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.