RefChem:1079349
TL;DR: RefChem:1079349 (CAS 116893-02-8) is a chemical compound with molecular formula C26H28N4O5 and molecular weight 476.20596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-[2-[(1-ethylpyrrolidin-2-yl)methyl]-3-oxo-1H-isoindol-1-yl]benzonitrile;(E)-but-2-enedioic acid
Also Known As: C22H24N4O.C4H4O4.4/3H2O, 3-(2-Amino-5-cyanophenyl)-2-((1-ethylpyrrolidin-2-yl)methyl)isoindolin-1-one fumarate hydrate, Benzonitrile, 4-amino-3-(2-((1-ethyl-2-pyrrolidinyl)methyl)-2,3-dihydro-3-oxo-1H-isoindol-1-yl)-, (E)-2-butenedioate, hydrate (3:3:4), C22-H24-N4-O.C4-H4-O4.4/3H2-O, 4-amino-3-[2-[(1-ethylpyrrolidin-2-yl)methyl]-3-oxo-1H-isoindol-1-yl]benzonitrile; (E)-but-2-enedioic acid
Technical Specifications
| Molecular Formula | C26H28N4O5 |
| Molecular Weight | 476.20596 g/mol |
| XLogP | 2.88178 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.20596 Da |
| Heavy Atoms | 35 |
| Complexity | 717.0 |
| SMILES | CCN1CCCC1CN2C(C3=CC=CC=C3C2=O)C4=C(C=CC(=C4)C#N)N.C(=C/C(=O)O)\C(=O)O |
| InChIKey | XJFFIEBVLDRCLS-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1079349
Property Insights of RefChem:1079349
The XLogP value of 2.88178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1079349. The TPSA of 148.0 Ų indicates high polarity, suggesting RefChem:1079349 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1079349 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:1079349?
The CAS number of RefChem:1079349 is 116893-02-8.
What is the molecular formula of RefChem:1079349?
The molecular formula of RefChem:1079349 is C26H28N4O5.
What is the molecular weight of RefChem:1079349?
The molecular weight of RefChem:1079349 is 476.20596 g/mol.
Where can I buy RefChem:1079349?
You can request a quote for RefChem:1079349 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1079349?
Yes, CoreyChem provides custom synthesis services for RefChem:1079349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.