RefChem:239214
TL;DR: RefChem:239214 (CAS 116870-74-7) is a chemical compound with molecular formula C20H27Cl2N3O and molecular weight 395.1531 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-aminophenyl)-2-[2-(diethylamino)ethyl]-3H-isoindol-1-one;dihydrochloride
Also Known As: C20H25N3O.2ClH.1/4H2O, 3-(2-Aminophenyl)-2-(2-diethylaminoethyl)isoindolin-1-one hydrochloride hydrate (4:8:1), C20-H25-N3-O.2Cl-H.1/4H2-O, 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(2-(diethylamino)ethyl)-, hydrochloridehydrate (4:8:1), 3-(2-aminophenyl)-2-(2-diethylaminoethyl)isoindolin-1-one dihydrochloride
Technical Specifications
| Molecular Formula | C20H27Cl2N3O |
| Molecular Weight | 395.1531 g/mol |
| XLogP | 3.9994 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.1531 Da |
| Heavy Atoms | 26 |
| Complexity | 423.0 |
| SMILES | CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N.Cl.Cl |
| InChIKey | RQTKEWBAYCYJJP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:239214
Property Insights of RefChem:239214
The XLogP value of 3.9994 indicates that RefChem:239214 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.6 Ų, RefChem:239214 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239214 has 3 hydrogen bond donor(s) and 3 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:239214?
The CAS number of RefChem:239214 is 116870-74-7.
What is the molecular formula of RefChem:239214?
The molecular formula of RefChem:239214 is C20H27Cl2N3O.
What is the molecular weight of RefChem:239214?
The molecular weight of RefChem:239214 is 395.1531 g/mol.
Where can I buy RefChem:239214?
You can request a quote for RefChem:239214 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:239214?
Yes, CoreyChem provides custom synthesis services for RefChem:239214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.