RefChem:239209
TL;DR: RefChem:239209 (CAS 116870-86-1) is a chemical compound with molecular formula C22H31Cl2N3O and molecular weight 423.18442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(diethylamino)ethyl]-3-[4-(dimethylamino)phenyl]-3H-isoindol-1-one;dihydrochloride
Also Known As: C22H29N3O.2ClH.12/5H2O, 2-(2-Diethylaminoethyl)-3-(4-dimethylaminophenyl)isoindolin-1-one HCl hydrate (5:10:12), C22-H29-N3-O.2Cl-H.12/5H2-O, 1H-Isoindol-1-one, 2,3-dihydro-2-(2-(diethylamino)ethyl)-3-(4-(dimethylamino)phenyl)-, hydrochloride, hydrate (5:10:12), 2-(2-diethylaminoethyl)-3-(4-dimethylaminophenyl)-3H-isoindol-1-one dihydrochloride
Technical Specifications
| Molecular Formula | C22H31Cl2N3O |
| Molecular Weight | 423.18442 g/mol |
| XLogP | 4.4832 |
| Topological Polar Surface Area (TPSA) | 26.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.18442 Da |
| Heavy Atoms | 28 |
| Complexity | 454.0 |
| SMILES | CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)N(C)C.Cl.Cl |
| InChIKey | YRAYHXDEDLYTKH-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:239209
Property Insights of RefChem:239209
The XLogP value of 4.4832 indicates that RefChem:239209 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.8 Ų, RefChem:239209 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239209 has 2 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:239209?
The CAS number of RefChem:239209 is 116870-86-1.
What is the molecular formula of RefChem:239209?
The molecular formula of RefChem:239209 is C22H31Cl2N3O.
What is the molecular weight of RefChem:239209?
The molecular weight of RefChem:239209 is 423.18442 g/mol.
Where can I buy RefChem:239209?
You can request a quote for RefChem:239209 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:239209?
Yes, CoreyChem provides custom synthesis services for RefChem:239209 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.