RefChem:239213
TL;DR: RefChem:239213 (CAS 116870-92-9) is a chemical compound with molecular formula C20H26Cl2FN3O and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-5-fluorophenyl)-2-[2-(diethylamino)ethyl]-3H-isoindol-1-one;dihydrochloride
Also Known As: 3-(2-Amino-5-fluorophenyl)-2-(2-diethylaminoethyl)isoindolin-1-one HCl hydrate (2:4:3), 1H-Isoindol-1-one, 2,3-dihydro-3-(2-amino-5-fluorophenyl)-2-(2-(diethylamino)ethyl)-, hydrochloride, hydrate (2:4:3), 3-(2-amino-5-fluorophenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride, 3-(2-Amino-5-fluorophenyl)-2-[2-(diethylamino)ethyl]-2,3-dihydro-1H-isoindol-1-one--hydrogen chloride (1/2), RefChem:239213
| Molecular Formula | C20H26Cl2FN3O |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 4.1385 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.1437 |
| Heavy Atoms | 27 |
| Complexity | 783.5722 |
Chemical Identifiers
| CAS Number | 116870-92-9 |
|---|---|
| SMILES | CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)F)N.Cl.Cl |
Product Overview
RefChem:239213 (CAS 116870-92-9), with molecular formula C20H26Cl2FN3O and molecular weight 413.14 g/mol. IUPAC: 3-(2-amino-5-fluorophenyl)-2-[2-(diethylamino)ethyl]-3H-isoindol-1-one;dihydrochloride.
Chemical Property Profile of RefChem:239213
Property Insights of RefChem:239213
The XLogP value of 4.1385 indicates that RefChem:239213 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, RefChem:239213 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239213 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:239213?
The CAS number of RefChem:239213 is 116870-92-9.
What is the molecular formula of RefChem:239213?
The molecular formula of RefChem:239213 is C20H26Cl2FN3O.
What is the molecular weight of RefChem:239213?
The molecular weight of RefChem:239213 is 413.14 g/mol.
Where can I buy RefChem:239213?
You can request a quote for RefChem:239213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239213?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.