1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1)
TL;DR: 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1) (CAS 116870-77-0) is a chemical compound with molecular formula C23H27N3O5 and molecular weight 425.19507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-aminophenyl)-2-[2-(propan-2-ylamino)ethyl]-3H-isoindol-1-one;but-2-enedioic acid
Also Known As: 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1), 3-(2-Aminophenyl)-2-(2-isopropylaminoethyl)isoindolin-1-one monofumarate
Technical Specifications
| Molecular Formula | C23H27N3O5 |
| Molecular Weight | 425.19507 g/mol |
| XLogP | 2.5238 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.19507 Da |
| Heavy Atoms | 31 |
| Complexity | 530.0 |
| SMILES | CC(C)NCCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N.C(=CC(=O)O)C(=O)O |
| InChIKey | DYMPRWUUVNVANE-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1)
Property Insights of 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1)
The XLogP value of 2.5238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1). The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1). Following Lipinski's Rule of Five, 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1) has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1)?
The CAS number of 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1) is 116870-77-0.
What is the molecular formula of 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1)?
The molecular formula of 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1) is C23H27N3O5.
What is the molecular weight of 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1)?
The molecular weight of 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1) is 425.19507 g/mol.
Where can I buy 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1)?
You can request a quote for 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1)?
Yes, CoreyChem provides custom synthesis services for 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-((1-methylethyl)amino)ethyl)-, (E)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.