RefChem:215564
TL;DR: RefChem:215564 (CAS 73698-50-7) is a chemical compound with molecular formula C17H27ClN2O3S and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(dibutylamino)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride
Also Known As: 1,2-Benzisothiazol-3(2H)-one, 2-(2-(dibutylamino)ethyl)-, 1,1-dioxide, hydrochloride, 2-(2-(Dibutylamino)ethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide hydrochloride, 1,2-Benzisothiazol-3 -one,2-(2- -,1,1-dioxide,hydrochloride, 2-[2-(dibutylamino)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one,hydrochloride, 1,2-Benzisothiazol-3(2H)-one, 2-[2-(dibutylamino)ethyl]-, 1,1-dioxide, monohydrochloride
| Molecular Formula | C17H27ClN2O3S |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 3.1551 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 374.1431 |
| Heavy Atoms | 24 |
| Complexity | 640.99066 |
Chemical Identifiers
| CAS Number | 73698-50-7 |
|---|---|
| SMILES | CCCCN(CCCC)CCN1C(=O)C2=CC=CC=C2S1(=O)=O.Cl |
Product Overview
RefChem:215564 (CAS 73698-50-7), with molecular formula C17H27ClN2O3S and molecular weight 374.14 g/mol. IUPAC: 2-[2-(dibutylamino)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride.
Chemical Property Profile of RefChem:215564
Property Insights of RefChem:215564
The XLogP value of 3.1551 indicates that RefChem:215564 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, RefChem:215564 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:215564 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:215564?
The CAS number of RefChem:215564 is 73698-50-7.
What is the molecular formula of RefChem:215564?
The molecular formula of RefChem:215564 is C17H27ClN2O3S.
What is the molecular weight of RefChem:215564?
The molecular weight of RefChem:215564 is 374.14 g/mol.
Where can I buy RefChem:215564?
You can request a quote for RefChem:215564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:215564?
Yes, KEHONG BIO provides custom synthesis services for RefChem:215564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.