2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
TL;DR: 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione (CAS 2779-48-8) is a chemical compound with molecular formula C9H8Cl3NO3S and molecular weight 314.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: trichloromethylsulfanyl[?]dione, 2-(trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-octahydr, 2-[(Trichloromethyl)thio]hexahydro-1H-4,7-epoxyisoindole-1,3-dione, 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione, 2-[(Trichloromethyl)sulfanyl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
| Molecular Formula | C9H8Cl3NO3S |
|---|---|
| Molecular Weight | 314.93 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.92905 |
| Heavy Atoms | 17 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 2779-48-8 |
|---|---|
| SMILES | C1CC2C3C(C1O2)C(=O)N(C3=O)SC(Cl)(Cl)Cl |
| InChIKey | HKXYLBOULKWTCY-UHFFFAOYSA-N |
Product Overview
2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione (CAS 2779-48-8), with molecular formula C9H8Cl3NO3S and molecular weight 314.93 g/mol. IUPAC: 2-(trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Property Insights of 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-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-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
The CAS number of 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione is 2779-48-8.
What is the molecular formula of 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
The molecular formula of 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione is C9H8Cl3NO3S.
What is the molecular weight of 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
The molecular weight of 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione is 314.93 g/mol.
Where can I buy 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
You can request a quote for 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-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-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trichloromethylsulfanyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.