3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile
TL;DR: 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile (CAS 1008238-15-0) is a chemical compound with molecular formula C20H28N4S2 and molecular weight 388.17554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-5,5-bis(butylsulfanyl)-4-azatricyclo[5.2.2.02,6]undeca-3,8-diene-2,6-dicarbonitrile
Also Known As: 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile, 3-amino-1,1-bis(butylthio)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile
Technical Specifications
| Molecular Formula | C20H28N4S2 |
| Molecular Weight | 388.17554 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.17554 Da |
| Heavy Atoms | 26 |
| Complexity | 702.0 |
| SMILES | CCCCSC1(C2(C3CCC(C2(C(=N1)N)C#N)C=C3)C#N)SCCCC |
| InChIKey | IKXHYTTVFRPNQZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile
Property Insights of 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile
The XLogP value of 4.1 indicates that 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile. Following Lipinski's Rule of Five, 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile?
The CAS number of 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile is 1008238-15-0.
What is the molecular formula of 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile?
The molecular formula of 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile is C20H28N4S2.
What is the molecular weight of 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile?
The molecular weight of 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile is 388.17554 g/mol.
Where can I buy 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile?
You can request a quote for 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-amino-1,1-bis(butylsulfanyl)-4,7-dihydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.