2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione
TL;DR: 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione (CAS 5959-80-8) is a chemical compound with molecular formula C22H23F3N2O3S2 and molecular weight 484.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl)-[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
Also Known As: 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione, 2-(2-(1H-imidazol-4-yl)ethyl)isoindoline-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-imidazol-4-yl)ethyl]-, (3-methylphenyl)-[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone, (3-methylphenyl)-[8-[3-(trifluoromethyl)phenyl]sulfonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]methanone
| Molecular Formula | C22H23F3N2O3S2 |
|---|---|
| Molecular Weight | 484.11 g/mol |
| LogP | 4.38382 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 484.11023 |
| Heavy Atoms | 32 |
| Complexity | 1127.2361 |
Chemical Identifiers
| CAS Number | 5959-80-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)N2CCSC23CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione (CAS 5959-80-8), with molecular formula C22H23F3N2O3S2 and molecular weight 484.11 g/mol. IUPAC: (3-methylphenyl)-[8-[3-(trifluoromethyl)phenyl]sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone.
Chemical Property Profile of 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione
Property Insights of 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione
The XLogP value of 4.38382 indicates that 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione 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 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione?
The CAS number of 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione is 5959-80-8.
What is the molecular formula of 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione?
The molecular formula of 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione is C22H23F3N2O3S2.
What is the molecular weight of 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione?
The molecular weight of 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione is 484.11 g/mol.
Where can I buy 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione?
You can request a quote for 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(1H-Imidazol-5-yl)ethyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.