RefChem:337161
TL;DR: RefChem:337161 (CAS 62674-82-2) is a chemical compound with molecular formula C18H19Cl2NOS and molecular weight 367.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)ethyl-dimethylazanium chloride
Also Known As: Dibenzo(b,f)thiepin-10(11H)-one, 8-chloro-11-(2-(dimethylamino)ethyl)-, hydrochloride, 8-Chloro-11-(2-dimethylaminoethyl)dibenzo(b,f)thiepin-10(11H)-one hydrochloride, 2-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)ethyl-dimethylazanium chloride, RefChem:337161
| Molecular Formula | C18H19Cl2NOS |
|---|---|
| Molecular Weight | 367.06 g/mol |
| LogP | 0.31 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.05643 |
| Heavy Atoms | 23 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 62674-82-2 |
|---|---|
| SMILES | C[NH+](C)CCC1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl.[Cl-] |
| InChIKey | RYTWTBSMAQDQLW-UHFFFAOYSA-N |
Product Overview
RefChem:337161 (CAS 62674-82-2), with molecular formula C18H19Cl2NOS and molecular weight 367.06 g/mol. IUPAC: 2-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)ethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:337161
Property Insights of RefChem:337161
The XLogP value of 0.31 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:337161. With a topological polar surface area (TPSA) of 46.8 Ų, RefChem:337161 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337161 has 1 hydrogen bond donor(s) and 3 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:337161?
The CAS number of RefChem:337161 is 62674-82-2.
What is the molecular formula of RefChem:337161?
The molecular formula of RefChem:337161 is C18H19Cl2NOS.
What is the molecular weight of RefChem:337161?
The molecular weight of RefChem:337161 is 367.06 g/mol.
Where can I buy RefChem:337161?
You can request a quote for RefChem:337161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337161?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.