2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate
TL;DR: 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate (CAS 293762-44-4) is a chemical compound with molecular formula C17H22N2OS2 and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1H-isoindol-2-yl)ethyl azepane-1-carbodithioate
Also Known As: BAS 00139097, 2-(1-oxoisoindolin-2-yl)ethyl azepane-1-carbodithioate, 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 1-azepanecarbodithioate, 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate, 2-(3-oxo-1H-isoindol-2-yl)ethyl azepane-1-carbodithioate
| Molecular Formula | C17H22N2OS2 |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.11737 |
| Heavy Atoms | 22 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 293762-44-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=S)SCCN2CC3=CC=CC=C3C2=O |
| InChIKey | WEHDTZJWYLEHTE-UHFFFAOYSA-N |
Product Overview
2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate (CAS 293762-44-4), with molecular formula C17H22N2OS2 and molecular weight 334.12 g/mol. IUPAC: 2-(3-oxo-1H-isoindol-2-yl)ethyl azepane-1-carbodithioate.
Chemical Property Profile of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate
Property Insights of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate
The XLogP value of 3.2 indicates that 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate. Following Lipinski's Rule of Five, 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate has 0 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 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate?
The CAS number of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate is 293762-44-4.
What is the molecular formula of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate?
The molecular formula of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate is C17H22N2OS2.
What is the molecular weight of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate?
The molecular weight of 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate is 334.12 g/mol.
Where can I buy 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate?
You can request a quote for 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)ethyl azepane-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.