4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-
TL;DR: 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)- (CAS 73986-89-7) is a chemical compound with molecular formula C11H18N2OS and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carbothioamide
Also Known As: hexahydro-2-4,7-epoxyisoindoline, Hexahydro-2- -4,7-epoxyisoindoline, 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-, 2-(Dimethylthioformamido)-4,7-endoxohexahydro-isoindoline, 2-(Dimethylamidothiocarbonyl)hexahydro-4,7-epoxyisoindoline
| Molecular Formula | C11H18N2OS |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.11398 |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 73986-89-7 |
|---|---|
| SMILES | CN(C)C(=S)N1CC2C3CCC(C2C1)O3 |
| InChIKey | QMCICVXIQRDSTA-UHFFFAOYSA-N |
Product Overview
4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)- (CAS 73986-89-7), with molecular formula C11H18N2OS and molecular weight 226.11 g/mol. IUPAC: N,N-dimethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carbothioamide.
Chemical Property Profile of 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-
Property Insights of 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-. With a topological polar surface area (TPSA) of 47.8 Ų, 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)- has 0 hydrogen bond donor(s) and 2 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 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-?
The CAS number of 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)- is 73986-89-7.
What is the molecular formula of 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-?
The molecular formula of 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)- is C11H18N2OS.
What is the molecular weight of 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-?
The molecular weight of 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)- is 226.11 g/mol.
Where can I buy 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-?
You can request a quote for 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Epoxyisoindoline, hexahydro-2-(dimethylthiocarbamoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.