RefChem:239211
TL;DR: RefChem:239211 (CAS 116870-85-0) is a chemical compound with molecular formula C22H31Cl2N3O and molecular weight 423.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-3,6-dimethylphenyl)-2-[2-(diethylamino)ethyl]-3H-isoindol-1-one;dihydrochloride
Also Known As: 3-(2-Amino-3,6-dimethylphenyl)-2-(2-diethylaminoethyl)isoindolin-1-one dihydrochloride, 1H-Isoindol-1-one, 2,3-dihydro-3-(2-amino-3,6-dimethylphenyl)-2-(2-(diethylamino)ethyl)-, dihydrochloride, 3-(2-amino-3,6-dimethylphenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one dihydrochloride, 3-(2-Amino-3,6-dimethylphenyl)-2-[2-(diethylamino)ethyl]-2,3-dihydro-1H-isoindol-1-one--hydrogen chloride (1/2), RefChem:239211
| Molecular Formula | C22H31Cl2N3O |
|---|---|
| Molecular Weight | 423.18 g/mol |
| LogP | 4.61624 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.18442 |
| Heavy Atoms | 28 |
| Complexity | 821.4243 |
Chemical Identifiers
| CAS Number | 116870-85-0 |
|---|---|
| SMILES | CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3N)C)C.Cl.Cl |
Product Overview
RefChem:239211 (CAS 116870-85-0), with molecular formula C22H31Cl2N3O and molecular weight 423.18 g/mol. IUPAC: 3-(2-amino-3,6-dimethylphenyl)-2-[2-(diethylamino)ethyl]-3H-isoindol-1-one;dihydrochloride.
Chemical Property Profile of RefChem:239211
Property Insights of RefChem:239211
The XLogP value of 4.61624 indicates that RefChem:239211 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:239211 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239211 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:239211?
The CAS number of RefChem:239211 is 116870-85-0.
What is the molecular formula of RefChem:239211?
The molecular formula of RefChem:239211 is C22H31Cl2N3O.
What is the molecular weight of RefChem:239211?
The molecular weight of RefChem:239211 is 423.18 g/mol.
Where can I buy RefChem:239211?
You can request a quote for RefChem:239211 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239211?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239211 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.