![1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]- structure](/static/products/520/52096-63-6.png)
1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]-
TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]- (CAS 52096-63-6) is a chemical compound with molecular formula C17H15NO2S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-benzylsulfanylethyl)isoindole-1,3-dione
Also Known As: 2-(2-benzylsulfanylethyl)isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]-, 2-[2-(Benzylsulfanyl)ethyl]-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione,2-[2-[(phenylmethyl)thio]ethyl]
| Molecular Formula | C17H15NO2S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 3.216 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.08234 |
| Heavy Atoms | 21 |
| Complexity | 634.5001 |
Chemical Identifiers
| CAS Number | 52096-63-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]- (CAS 52096-63-6), with molecular formula C17H15NO2S and molecular weight 297.08 g/mol. IUPAC: 2-(2-benzylsulfanylethyl)isoindole-1,3-dione.
Chemical Property Profile of 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]-
Property Insights of 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]-
The XLogP value of 3.216 indicates that 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]- 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 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]-?
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]- is 52096-63-6.
What is the molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]-?
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]- is C17H15NO2S.
What is the molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]-?
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]- is 297.08 g/mol.
Where can I buy 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]-?
You can request a quote for 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1,3(2H)-dione, 2-[2-[(phenylmethyl)thio]ethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.