6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate
TL;DR: 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate (CAS 125981-99-9) is a chemical compound with molecular formula C22H25NO6S and molecular weight 431.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-[2-(dimethylamino)ethoxy]-5,6-dihydrobenzo[b][1]benzothiepin-5-ol
Also Known As: 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate, Dibenzo(b,f)thiepin-10-ol, 10,11-dihydro-6-(2-(dimethylamino)ethoxy)-, (Z)-2-butenedioate (1:1) (salt)
| Molecular Formula | C22H25NO6S |
|---|---|
| Molecular Weight | 431.14 g/mol |
| LogP | 3.0795 |
| Topological Polar Surface Area | 107.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.14026 |
| Heavy Atoms | 30 |
| Complexity | 896.2508 |
Chemical Identifiers
| CAS Number | 125981-99-9 |
|---|---|
| SMILES | CN(C)CCOC1=CC=CC2=C1SC3=CC=CC=C3CC2O.C(=CC(=O)O)C(=O)O |
Product Overview
6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate (CAS 125981-99-9), with molecular formula C22H25NO6S and molecular weight 431.14 g/mol. IUPAC: but-2-enedioic acid;1-[2-(dimethylamino)ethoxy]-5,6-dihydrobenzo[b][1]benzothiepin-5-ol.
Chemical Property Profile of 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate
Property Insights of 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate
The XLogP value of 3.0795 indicates that 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate. Following Lipinski's Rule of Five, 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate has 3 hydrogen bond donor(s) and 6 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 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate?
The CAS number of 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate is 125981-99-9.
What is the molecular formula of 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate?
The molecular formula of 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate is C22H25NO6S.
What is the molecular weight of 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate?
The molecular weight of 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate is 431.14 g/mol.
Where can I buy 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate?
You can request a quote for 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-Dimethylaminoethoxy)-10,11-dihydrodibenzo(b,f)thiepin-10-ol hydrogen maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.