4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide
TL;DR: 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide (CAS 6337-03-7) is a chemical compound with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-5-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide
Also Known As: 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide, [5-(3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0<2,6>]dec-4-yl)-4-cyano-3-methyl(2-t hienyl)]-N,N-dimethylcarboxamide, 4-cyano-5-(3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-N,N,3-trimethyl-2-thiophenecarboxamide
| Molecular Formula | C17H17N3O4S |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 1.2968 |
| Topological Polar Surface Area | 90.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.09396 |
| Heavy Atoms | 25 |
| Complexity | 824.8098 |
Chemical Identifiers
| CAS Number | 6337-03-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)N2C(=O)C3C4CCC(C3C2=O)O4)C(=O)N(C)C |
Product Overview
4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide (CAS 6337-03-7), with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol. IUPAC: 4-cyano-5-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide.
Chemical Property Profile of 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide
Property Insights of 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide
The XLogP value of 1.2968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide. The TPSA of 90.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide. Following Lipinski's Rule of Five, 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide has 0 hydrogen bond donor(s) and 6 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-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide?
The CAS number of 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide is 6337-03-7.
What is the molecular formula of 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide?
The molecular formula of 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide is C17H17N3O4S.
What is the molecular weight of 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide?
The molecular weight of 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide is 359.09 g/mol.
Where can I buy 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide?
You can request a quote for 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-5-(1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,3-trimethylthiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.