Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1)
TL;DR: Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1) (CAS 31772-64-2) is a chemical compound with molecular formula C22H23NO5S and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(11-oxo-6H-benzo[c][1]benzothiepin-6-yl)ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 11-(2-Dimethylaminoethyl)-11H-dibenzo(b,f)thiepin-10-one hydrogen maleate, DIBENZO(b,f)THIEPIN-10(11H)-ONE, 11-(2-(DIMETHYLAMINO)ETHYL)-, MALEATE (1:1), dimethyl-[2-(11-oxo-6H-benzo[c][1]benzothiepin-6-yl)ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1083335
| Molecular Formula | C22H23NO5S |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 0.9761 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.1297 |
| Heavy Atoms | 29 |
| Complexity | 906.9236 |
Chemical Identifiers
| CAS Number | 31772-64-2 |
|---|---|
| SMILES | C[NH+](C)CCC1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1) (CAS 31772-64-2), with molecular formula C22H23NO5S and molecular weight 413.13 g/mol. IUPAC: dimethyl-[2-(11-oxo-6H-benzo[c][1]benzothiepin-6-yl)ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1)
Property Insights of Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1)
The XLogP value of 0.9761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1). The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1). Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (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 Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1)?
The CAS number of Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1) is 31772-64-2.
What is the molecular formula of Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1)?
The molecular formula of Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1) is C22H23NO5S.
What is the molecular weight of Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1)?
The molecular weight of Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1) is 413.13 g/mol.
Where can I buy Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1)?
You can request a quote for Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.