RefChem:239208
TL;DR: RefChem:239208 (CAS 116870-45-2) is a chemical compound with molecular formula C21H27N3O and molecular weight 337.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(diethylamino)ethyl]-3-[2-(methylamino)phenyl]-3H-isoindol-1-one
Also Known As: 2-(2-Diethylaminoethyl)-3-(2-methylaminophenyl)isoindolin-1-one, 1H-Isoindol-1-one, 2,3-dihydro-2-(2-(diethylamino)ethyl)-3-(2-(methylamino)phenyl)-, 2,3-Dihydro-2-(2-(diethylamino)ethyl)-3-(2-(methylamino)phenyl)-1H-isoindol-1-one, 2-(2-diethylaminoethyl)-3-[2-(methylamino)phenyl]-3H-isoindol-1-one, 2-[2-(Diethylamino)ethyl]-3-[2-(methylamino)phenyl]-2,3-dihydro-1H-isoindol-1-one
| Molecular Formula | C21H27N3O |
|---|---|
| Molecular Weight | 337.22 g/mol |
| LogP | 3.6153 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.21542 |
| Heavy Atoms | 25 |
| Complexity | 739.42596 |
Chemical Identifiers
| CAS Number | 116870-45-2 |
|---|---|
| SMILES | CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3NC |
Product Overview
RefChem:239208 (CAS 116870-45-2), with molecular formula C21H27N3O and molecular weight 337.22 g/mol. IUPAC: 2-[2-(diethylamino)ethyl]-3-[2-(methylamino)phenyl]-3H-isoindol-1-one.
Chemical Property Profile of RefChem:239208
Property Insights of RefChem:239208
The XLogP value of 3.6153 indicates that RefChem:239208 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, RefChem:239208 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239208 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:239208?
The CAS number of RefChem:239208 is 116870-45-2.
What is the molecular formula of RefChem:239208?
The molecular formula of RefChem:239208 is C21H27N3O.
What is the molecular weight of RefChem:239208?
The molecular weight of RefChem:239208 is 337.22 g/mol.
Where can I buy RefChem:239208?
You can request a quote for RefChem:239208 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239208?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239208 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.