RefChem:1079350
TL;DR: RefChem:1079350 (CAS 116870-90-7) is a chemical compound with molecular formula C25H28N4O5 and molecular weight 464.20596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-[2-[2-(diethylamino)ethyl]-3-oxo-1H-isoindol-1-yl]benzonitrile;(E)-but-2-enedioic acid
Also Known As: 3-(2-Amino-5-cyanophenyl)-2-(2-diethylaminoethyl)isoindolin-1-one fumarate hydrate, Benzonitrile, 4-amino-3-(2-(2-(diethylamino)ethyl)-2,3-dihydro-3-oxo-1H-isoindol-1-yl)-, (E)-2-butenedioate, hydrate (1:1:1), 4-amino-3-[2-(2-diethylaminoethyl)-3-oxo-1H-isoindol-1-yl]benzonitrile; (E)-but-2-enedioic acid
Technical Specifications
| Molecular Formula | C25H28N4O5 |
| Molecular Weight | 464.20596 g/mol |
| XLogP | 2.73928 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.20596 Da |
| Heavy Atoms | 34 |
| Complexity | 656.0 |
| SMILES | CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C#N)N.C(=C/C(=O)O)\C(=O)O |
| InChIKey | HWZFVDJDALPHPI-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1079350
Property Insights of RefChem:1079350
The XLogP value of 2.73928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1079350. The TPSA of 148.0 Ų indicates high polarity, suggesting RefChem:1079350 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1079350 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1079350?
The CAS number of RefChem:1079350 is 116870-90-7.
What is the molecular formula of RefChem:1079350?
The molecular formula of RefChem:1079350 is C25H28N4O5.
What is the molecular weight of RefChem:1079350?
The molecular weight of RefChem:1079350 is 464.20596 g/mol.
Where can I buy RefChem:1079350?
You can request a quote for RefChem:1079350 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1079350?
Yes, CoreyChem provides custom synthesis services for RefChem:1079350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.