RefChem:239212
TL;DR: RefChem:239212 (CAS 116870-81-6) is a chemical compound with molecular formula C20H26Cl3N3O and molecular weight 429.11414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-amino-5-chlorophenyl)-2-[2-(diethylamino)ethyl]-3H-isoindol-1-one;dihydrochloride
Also Known As: 3-(2-Amino-5-chlorophenyl)-2-(2-diethylaminoethyl)isoindolin-1-one HCl hydrate (2:4:1), C20-H24-Cl-N3-O.2Cl-H.1/2H2-O, 1H-Isoindol-1-one, 2,3-dihydro-3-(2-amino-5-chlorophenyl)-2-(2-(diethylamino)ethyl)-, hydrochloride, hydrate (2:4:1), 3-(2-amino-5-chlorophenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride, 3-(2-Amino-5-chlorophenyl)-2-[2-(diethylamino)ethyl]-2,3-dihydro-1H-isoindol-1-one--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C20H26Cl3N3O |
| Molecular Weight | 429.11414 g/mol |
| XLogP | 4.6528 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.11414 Da |
| Heavy Atoms | 27 |
| Complexity | 456.0 |
| SMILES | CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)Cl)N.Cl.Cl |
| InChIKey | FOOJCJIZFHXGNM-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:239212
Property Insights of RefChem:239212
The XLogP value of 4.6528 indicates that RefChem:239212 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:239212 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239212 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:239212?
The CAS number of RefChem:239212 is 116870-81-6.
What is the molecular formula of RefChem:239212?
The molecular formula of RefChem:239212 is C20H26Cl3N3O.
What is the molecular weight of RefChem:239212?
The molecular weight of RefChem:239212 is 429.11414 g/mol.
Where can I buy RefChem:239212?
You can request a quote for RefChem:239212 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:239212?
Yes, CoreyChem provides custom synthesis services for RefChem:239212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.