RefChem:239207
TL;DR: RefChem:239207 (CAS 116870-79-2) 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.
2-[2-(diethylamino)ethyl]-3-[2-(ethylamino)phenyl]-3H-isoindol-1-one;dihydrochloride
Also Known As: C22H29N3O.2ClH.4/5H2O, C22-H29-N3-O.2Cl-H.4/5H2-O, 1H-Isoindol-1-one, 2,3-dihydro-2-(2-(diethylamino)ethyl)-3-(2-(ethylamino)phenyl)-, hydrochloride, hydrate (5:10:4), 2-(2-diethylaminoethyl)-3-(2-ethylaminophenyl)-3H-isoindol-1-one Dihydrochloride, 2-(2-diethylaminoethyl)-3-[2-(ethylamino)phenyl]-3H-isoindol-1-one dihydrochloride
| Molecular Formula | C22H31Cl2N3O |
|---|---|
| Molecular Weight | 423.18 g/mol |
| LogP | 4.849 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.18442 |
| Heavy Atoms | 28 |
| Complexity | 764.952 |
Chemical Identifiers
| CAS Number | 116870-79-2 |
|---|---|
| SMILES | CCNC1=CC=CC=C1C2C3=CC=CC=C3C(=O)N2CCN(CC)CC.Cl.Cl |
Product Overview
RefChem:239207 (CAS 116870-79-2), with molecular formula C22H31Cl2N3O and molecular weight 423.18 g/mol. IUPAC: 2-[2-(diethylamino)ethyl]-3-[2-(ethylamino)phenyl]-3H-isoindol-1-one;dihydrochloride.
Chemical Property Profile of RefChem:239207
Property Insights of RefChem:239207
The XLogP value of 4.849 indicates that RefChem:239207 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:239207 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239207 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:239207?
The CAS number of RefChem:239207 is 116870-79-2.
What is the molecular formula of RefChem:239207?
The molecular formula of RefChem:239207 is C22H31Cl2N3O.
What is the molecular weight of RefChem:239207?
The molecular weight of RefChem:239207 is 423.18 g/mol.
Where can I buy RefChem:239207?
You can request a quote for RefChem:239207 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239207?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239207 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.