RefChem:215565
TL;DR: RefChem:215565 (CAS 73698-51-8) is a chemical compound with molecular formula C13H19ClN2O3S and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylamino)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride
Also Known As: 1,2-Benzisothiazol-3(2H)-one, 2-(2-(diethylamino)ethyl)-, 1,1-dioxide, hydrochloride, 2-(2-(Diethylamino)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide hydrochloride, 2-[2-(Diethylamino)ethyl]-1,1-dioxide hydrochloride, 1,2-Benzisothiazol-3(2H)-one, 2-(2-(diethylamino)ethyl)-, 1,1-dioxide, monohydrochloride, 1, 2-[2-(diethylamino)ethyl]-, 1,1-dioxide, hydrochloride
| Molecular Formula | C13H19ClN2O3S |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 1.5947 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.0805 |
| Heavy Atoms | 20 |
| Complexity | 585.034 |
Chemical Identifiers
| CAS Number | 73698-51-8 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)C2=CC=CC=C2S1(=O)=O.Cl |
Product Overview
RefChem:215565 (CAS 73698-51-8), with molecular formula C13H19ClN2O3S and molecular weight 318.08 g/mol. IUPAC: 2-[2-(diethylamino)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride.
Chemical Property Profile of RefChem:215565
Property Insights of RefChem:215565
The XLogP value of 1.5947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:215565. With a topological polar surface area (TPSA) of 57.69 Ų, RefChem:215565 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:215565 has 0 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:215565?
The CAS number of RefChem:215565 is 73698-51-8.
What is the molecular formula of RefChem:215565?
The molecular formula of RefChem:215565 is C13H19ClN2O3S.
What is the molecular weight of RefChem:215565?
The molecular weight of RefChem:215565 is 318.08 g/mol.
Where can I buy RefChem:215565?
You can request a quote for RefChem:215565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:215565?
Yes, KEHONG BIO provides custom synthesis services for RefChem:215565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.