RefChem:239216
TL;DR: RefChem:239216 (CAS 116887-12-8) is a chemical compound with molecular formula C21H29Cl2N3O and molecular weight 409.16876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-aminophenyl)-2-[3-(diethylamino)propyl]-3H-isoindol-1-one;dihydrochloride
Also Known As: 3-(2-Aminophenyl)-2-(3-diethylaminopropyl)isoindolin-1-one dihydrochloride dihydrate, 1H-Isoindol-1-one, 2,3-dihydro-3-(2-aminophenyl)-2-(3-(diethylamino)propyl)-, hydrochloride, hydrate (1:2:2), 3-(2-aminophenyl)-2-[3-(diethylamino)propyl]-3H-isoindol-1-one dihydrochloride, 3-(2-Aminophenyl)-2-[3-(diethylamino)propyl]-2,3-dihydro-1H-isoindol-1-one--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C21H29Cl2N3O |
| Molecular Weight | 409.16876 g/mol |
| XLogP | 4.3895 |
| Topological Polar Surface Area (TPSA) | 49.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.16876 Da |
| Heavy Atoms | 27 |
| Complexity | 437.0 |
| SMILES | CCN(CC)CCCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N.Cl.Cl |
| InChIKey | LMWWRHPQDXDIOC-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:239216
Property Insights of RefChem:239216
The XLogP value of 4.3895 indicates that RefChem:239216 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:239216 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239216 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:239216?
The CAS number of RefChem:239216 is 116887-12-8.
What is the molecular formula of RefChem:239216?
The molecular formula of RefChem:239216 is C21H29Cl2N3O.
What is the molecular weight of RefChem:239216?
The molecular weight of RefChem:239216 is 409.16876 g/mol.
Where can I buy RefChem:239216?
You can request a quote for RefChem:239216 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:239216?
Yes, CoreyChem provides custom synthesis services for RefChem:239216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.