Dothiepin sulfoxide
TL;DR: Dothiepin sulfoxide (CAS 749-48-4) 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.
dimethyl-[(3Z)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;4-hydroxy-4-oxobutanoate
Also Known As: Dothiepin sulfoxide, 6,11-Dihydro-11-(3-(dimethylamino)propylidene)-dibenz(b,e)thiepin 5-oxide succinate, Dibenz(b,e)thiepin, 6,11-dihydro-11-(3-(dimethylamino)propylidene)-, 5-oxide, succinate, 6,11-Dihydro-11-(3-(dimethylamino)propylidene)-5-oxyd-dibenz(b,e)thiepin succinat [German], 6,11-Dihydro-11-(3-(dimethylamino)propylidene)-5-oxyd-dibenz(b,e)thiepin succinat
| Molecular Formula | C23H27NO5S |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 0.8752 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.16098 |
| Heavy Atoms | 30 |
| Complexity | 938.11456 |
Chemical Identifiers
| CAS Number | 749-48-4 |
|---|---|
| SMILES | C[NH+](C)CC/C=C\1/C2=CC=CC=C2CS(=O)C3=CC=CC=C31.C(CC(=O)[O-])C(=O)O |
Product Overview
Dothiepin sulfoxide (CAS 749-48-4), with molecular formula C23H27NO5S and molecular weight 429.16 g/mol. IUPAC: dimethyl-[(3Z)-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]azanium;4-hydroxy-4-oxobutanoate.
Chemical Property Profile of Dothiepin sulfoxide
Property Insights of Dothiepin sulfoxide
The XLogP value of 0.8752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dothiepin sulfoxide. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Dothiepin sulfoxide. Following Lipinski's Rule of Five, Dothiepin sulfoxide 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 Dothiepin sulfoxide?
The CAS number of Dothiepin sulfoxide is 749-48-4.
What is the molecular formula of Dothiepin sulfoxide?
The molecular formula of Dothiepin sulfoxide is C23H27NO5S.
What is the molecular weight of Dothiepin sulfoxide?
The molecular weight of Dothiepin sulfoxide is 429.16 g/mol.
Where can I buy Dothiepin sulfoxide?
You can request a quote for Dothiepin sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dothiepin sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Dothiepin sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.