RefChem:337124
TL;DR: RefChem:337124 (CAS 78110-21-1) is a chemical compound with molecular formula C17H18Cl2N2OS and molecular weight 368.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-6-oxobenzo[b][1,4]benzothiazepin-5-yl)ethyl-dimethylazanium chloride
Also Known As: Dibenzo(b,f)(1,4)thiazepin-11-one, 10,11-dihydro-7-chloro-10-(2-(dimethylamino)ethyl)-, hydrochloride, 2-(2-Chloro-6-oxobenzo[b][1,4]benzothiazepin-5-yl)ethyl-dimethylazaniumchloride, 2-(2-chloro-6-oxobenzo[b][1,4]benzothiazepin-5-yl)ethyl-dimethylazanium chloride, DIBENZO(b,f)(1,4)THIAZEPIN-11-ONE, 10,11-DIHYDRO-7-CHLORO-10-(2-(DIMETHYLAMINO)E, Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 7-chloro-10-[2-(dimethylamino)ethyl]-, monohydrochloride
| Molecular Formula | C17H18Cl2N2OS |
|---|---|
| Molecular Weight | 368.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.0517 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 78110-21-1 |
|---|---|
| SMILES | C[NH+](C)CCN1C2=C(C=C(C=C2)Cl)SC3=CC=CC=C3C1=O.[Cl-] |
| InChIKey | STAUBKXRQJMTFX-UHFFFAOYSA-N |
Product Overview
RefChem:337124 (CAS 78110-21-1), with molecular formula C17H18Cl2N2OS and molecular weight 368.05 g/mol. IUPAC: 2-(2-chloro-6-oxobenzo[b][1,4]benzothiazepin-5-yl)ethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:337124
Property Insights of RefChem:337124
The XLogP value of -0.4 indicates that RefChem:337124 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.1 Ų, RefChem:337124 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337124 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:337124?
The CAS number of RefChem:337124 is 78110-21-1.
What is the molecular formula of RefChem:337124?
The molecular formula of RefChem:337124 is C17H18Cl2N2OS.
What is the molecular weight of RefChem:337124?
The molecular weight of RefChem:337124 is 368.05 g/mol.
Where can I buy RefChem:337124?
You can request a quote for RefChem:337124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337124?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.