Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1)
TL;DR: Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1) (CAS 749-59-7) is a chemical compound with molecular formula C24H29NO5S and molecular weight 443.18 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-diethylethanamine
Also Known As: 2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)oxy)triethylamine fumarate, Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1), (E)-but-2-enedioic acid; 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-diethylethanamine, RefChem:1100398
| Molecular Formula | C24H29NO5S |
|---|---|
| Molecular Weight | 443.18 g/mol |
| LogP | 4.4519 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.17664 |
| Heavy Atoms | 31 |
| Complexity | 831.54333 |
Chemical Identifiers
| CAS Number | 749-59-7 |
|---|---|
| SMILES | CCN(CC)CCOC1C2=CC=CC=C2CSC3=CC=CC=C13.C(=C/C(=O)O)\C(=O)O |
Product Overview
Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1) (CAS 749-59-7), with molecular formula C24H29NO5S and molecular weight 443.18 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-N,N-diethylethanamine.
Chemical Property Profile of Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1)
Property Insights of Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1)
The XLogP value of 4.4519 indicates that Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1) 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 Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1). Following Lipinski's Rule of Five, Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1) 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 Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1)?
The CAS number of Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1) is 749-59-7.
What is the molecular formula of Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1)?
The molecular formula of Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1) is C24H29NO5S.
What is the molecular weight of Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1)?
The molecular weight of Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1) is 443.18 g/mol.
Where can I buy Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1)?
You can request a quote for Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Triethylamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.