RefChem:337091
TL;DR: RefChem:337091 (CAS 23772-24-9) is a chemical compound with molecular formula C18H20ClNO3S and molecular weight 365.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-(5,5,11-trioxo-6H-benzo[c][1]benzothiepin-6-yl)ethyl]azanium chloride
Also Known As: Dibenzo(b,e)thiepin-11(6H)-one, 6-(2-(dimethylamino)ethyl)-, 5,5-dioxide, hydrochloride, 6-(2-Dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin-11-one 5,5-dioxide hydrochloride, dimethyl-[2-(5,5,11-trioxo-6H-benzo[c][1]benzothiepin-6-yl)ethyl]azanium chloride, RefChem:337091
| Molecular Formula | C18H20ClNO3S |
|---|---|
| Molecular Weight | 365.09 g/mol |
| LogP | -1.72 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.08524 |
| Heavy Atoms | 24 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 23772-24-9 |
|---|---|
| SMILES | C[NH+](C)CCC1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1(=O)=O.[Cl-] |
| InChIKey | BSKDATPWBNJOEA-UHFFFAOYSA-N |
Product Overview
RefChem:337091 (CAS 23772-24-9), with molecular formula C18H20ClNO3S and molecular weight 365.09 g/mol. IUPAC: dimethyl-[2-(5,5,11-trioxo-6H-benzo[c][1]benzothiepin-6-yl)ethyl]azanium chloride.
Chemical Property Profile of RefChem:337091
Property Insights of RefChem:337091
The XLogP value of -1.72 indicates that RefChem:337091 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:337091. Following Lipinski's Rule of Five, RefChem:337091 has 1 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 RefChem:337091?
The CAS number of RefChem:337091 is 23772-24-9.
What is the molecular formula of RefChem:337091?
The molecular formula of RefChem:337091 is C18H20ClNO3S.
What is the molecular weight of RefChem:337091?
The molecular weight of RefChem:337091 is 365.09 g/mol.
Where can I buy RefChem:337091?
You can request a quote for RefChem:337091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337091?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.