RefChem:328081
TL;DR: RefChem:328081 (CAS 116870-93-0) is a chemical compound with molecular formula C20H24Cl2N4O and molecular weight 406.13272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-[3-oxo-2-[2-(propan-2-ylamino)ethyl]-1H-isoindol-1-yl]benzonitrile;dihydrochloride
Also Known As: C20H22N4O.2ClH.1/2H2O, C20-H22-N4-O.2Cl-H.1/2H2-O, 3-(2-Amino-5-cyanophenyl)-2-(2-isopropylaminoethyl)isoindolin-1-one hydrochloride H2O (2:4:1), Benzonitrile, 4-amino-3-(2,3-dihydro-2-(2-((1-methylethyl)amino)ethyl)-3-oxo-1H-isoindol-1-yl)-, hydrochloride, hydrate (2:4:1), 4-Amino-3-(3-oxo-2-{2-[(propan-2-yl)amino]ethyl}-2,3-dihydro-1H-isoindol-1-yl)benzonitrile--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C20H24Cl2N4O |
| Molecular Weight | 406.13272 g/mol |
| XLogP | 3.52728 |
| Topological Polar Surface Area (TPSA) | 82.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.13272 Da |
| Heavy Atoms | 27 |
| Complexity | 525.0 |
| SMILES | CC(C)NCCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C#N)N.Cl.Cl |
| InChIKey | HJGRTDATAHAYCR-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:328081
Property Insights of RefChem:328081
The XLogP value of 3.52728 indicates that RefChem:328081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:328081. Following Lipinski's Rule of Five, RefChem:328081 has 4 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:328081?
The CAS number of RefChem:328081 is 116870-93-0.
What is the molecular formula of RefChem:328081?
The molecular formula of RefChem:328081 is C20H24Cl2N4O.
What is the molecular weight of RefChem:328081?
The molecular weight of RefChem:328081 is 406.13272 g/mol.
Where can I buy RefChem:328081?
You can request a quote for RefChem:328081 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:328081?
Yes, CoreyChem provides custom synthesis services for RefChem:328081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.