RefChem:328082
TL;DR: RefChem:328082 (CAS 116870-91-8) is a chemical compound with molecular formula C21H25ClN4O and molecular weight 384.1717 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;hydrochloride
Also Known As: Benzonitrile, 4-amino-3-(2-(2-(diethylamino)ethyl)-2,3-dihydro-3-oxo-1H-isoindol-1-yl)-, monohydrochloride, 4-amino-3-[2-(2-diethylaminoethyl)-3-oxo-1H-isoindol-1-yl]benzonitrile Hydrochloride, 4-Amino-3-{2-[2-(diethylamino)ethyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}benzonitrile--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C21H25ClN4O |
| Molecular Weight | 384.1717 g/mol |
| XLogP | 3.44928 |
| Topological Polar Surface Area (TPSA) | 73.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.1717 Da |
| Heavy Atoms | 27 |
| Complexity | 537.0 |
| SMILES | CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C#N)N.Cl |
| InChIKey | DYLMHVNHAVVPOD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:328082
Property Insights of RefChem:328082
The XLogP value of 3.44928 indicates that RefChem:328082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:328082. Following Lipinski's Rule of Five, RefChem:328082 has 2 hydrogen bond donor(s) and 4 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:328082?
The CAS number of RefChem:328082 is 116870-91-8.
What is the molecular formula of RefChem:328082?
The molecular formula of RefChem:328082 is C21H25ClN4O.
What is the molecular weight of RefChem:328082?
The molecular weight of RefChem:328082 is 384.1717 g/mol.
Where can I buy RefChem:328082?
You can request a quote for RefChem:328082 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:328082?
Yes, CoreyChem provides custom synthesis services for RefChem:328082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.