RefChem:337112
TL;DR: RefChem:337112 (CAS 23737-33-9) is a chemical compound with molecular formula C18H22ClNO3S and molecular weight 367.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)ethyl-dimethylazanium chloride
Also Known As: (+-)-6-(2-Dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin-11-ol 5,5-dioxide hydrochloride, (+-)-6,11-Dihydro-6-(2-(dimethylamino)ethyl)dibenzo(b,e)thiepin-11-ol 5,5-dioxide HCl, Dibenzo(b,e)thiepin-11-ol, 6,11-dihydro-6-(2-(dimethylamino)ethyl)-, 5,5-dioxide, hydrochloride, (+-)-, DIBENZO(b,e)THIEPIN-11-OL, 6,11-DIHYDRO-6-(2-(DIMETHYLAMINO)ETHYL)-, 5,5-DIOXIDE, 2-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)ethyl-dimethylazanium chloride
| Molecular Formula | C18H22ClNO3S |
|---|---|
| Molecular Weight | 367.10 g/mol |
| LogP | -1.86 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.1009 |
| Heavy Atoms | 24 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 23737-33-9 |
|---|---|
| SMILES | C[NH+](C)CCC1C2=CC=CC=C2C(C3=CC=CC=C3S1(=O)=O)O.[Cl-] |
| InChIKey | XOOKRZLPNNWNNL-UHFFFAOYSA-N |
Product Overview
RefChem:337112 (CAS 23737-33-9), with molecular formula C18H22ClNO3S and molecular weight 367.10 g/mol. IUPAC: 2-(11-hydroxy-5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-6-yl)ethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:337112
Property Insights of RefChem:337112
The XLogP value of -1.86 indicates that RefChem:337112 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:337112. Following Lipinski's Rule of Five, RefChem:337112 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 RefChem:337112?
The CAS number of RefChem:337112 is 23737-33-9.
What is the molecular formula of RefChem:337112?
The molecular formula of RefChem:337112 is C18H22ClNO3S.
What is the molecular weight of RefChem:337112?
The molecular weight of RefChem:337112 is 367.10 g/mol.
Where can I buy RefChem:337112?
You can request a quote for RefChem:337112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337112?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.