(E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1005072-18-3) is a chemical compound with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-{[(E)-(1,2-dimethyl-1H-indol-3-yl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-[(1E)-2-(1,2-dimethylindol-3-yl)-1-azavinyl]-4-azatricyclo[5.2.1.0<2,6>]dec- 8-ene-3,5-dione, 4-{[(1,2-dimethyl-1H-indol-3-yl)methylene]amino}-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
| Molecular Formula | C20H19N3O2 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 2.62772 |
| Topological Polar Surface Area | 54.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.14774 |
| Heavy Atoms | 25 |
| Complexity | 954.23285 |
Chemical Identifiers
| CAS Number | 1005072-18-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1C)/C=N/N3C(=O)C4C5CC(C4C3=O)C=C5 |
Product Overview
(E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1005072-18-3), with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol. IUPAC: 4-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 2.62772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 54.67 Ų, (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 3 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 (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 1005072-18-3.
What is the molecular formula of (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C20H19N3O2.
What is the molecular weight of (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 333.15 g/mol.
Where can I buy (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(((1,2-dimethyl-1H-indol-3-yl)methylene)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.