Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate
TL;DR: Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate (CAS 1252-56-8) is a chemical compound with molecular formula C23H26BrNO4S and molecular weight 491.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3Z)-3-(3-bromo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium;4-hydroxy-4-oxobutanoate
Also Known As: Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate, 3-Bromo-6,11-dihydro-11-(3-(dimethylamino)propylidene)dibenz(b,e)thiepin succinate, [(3Z)-3-(3-bromo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium; 4-hydroxy-4-oxobutanoate, Butanedioic acid, compd. with 3-(3-bromodibenzo[b,e]thiepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine (1:1), RefChem:1083288
| Molecular Formula | C23H26BrNO4S |
|---|---|
| Molecular Weight | 491.08 g/mol |
| LogP | 2.6222 |
| Topological Polar Surface Area | 81.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.0766 |
| Heavy Atoms | 30 |
| Complexity | 913.1692 |
Chemical Identifiers
| CAS Number | 1252-56-8 |
|---|---|
| SMILES | C[NH+](C)CC/C=C/1\C2=C(C=C(C=C2)Br)SCC3=CC=CC=C31.C(CC(=O)[O-])C(=O)O |
Product Overview
Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate (CAS 1252-56-8), with molecular formula C23H26BrNO4S and molecular weight 491.08 g/mol. IUPAC: [(3Z)-3-(3-bromo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium;4-hydroxy-4-oxobutanoate.
Chemical Property Profile of Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate
Property Insights of Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate
The XLogP value of 2.6222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate. The TPSA of 81.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate. Following Lipinski's Rule of Five, Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate has 2 hydrogen bond donor(s) and 4 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 Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate?
The CAS number of Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate is 1252-56-8.
What is the molecular formula of Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate?
The molecular formula of Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate is C23H26BrNO4S.
What is the molecular weight of Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate?
The molecular weight of Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate is 491.08 g/mol.
Where can I buy Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate?
You can request a quote for Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate?
Yes, KEHONG BIO provides custom synthesis services for Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.