RefChem:239337
TL;DR: RefChem:239337 (CAS 90619-38-8) is a chemical compound with molecular formula C21H28Cl3N3O2 and molecular weight 459.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione;dihydrochloride
Also Known As: 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(3-(4-(2-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride, 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione dihydrochloride, 1H-ISOINDOLE-1,3(2H)-DIONE, 3a,4,7,7a-TETRAHYDRO-2-(3-(4-(2-CHLOROPHENYL)-1-PIPE, 2-{3-[4-(2-Chlorophenyl)piperazin-1-yl]propyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione--hydrogen chloride (1/2), RefChem:239337
| Molecular Formula | C21H28Cl3N3O2 |
|---|---|
| Molecular Weight | 459.12 g/mol |
| LogP | 3.65 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.1247 |
| Heavy Atoms | 29 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 90619-38-8 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)C3CC=CCC3C2=O)C4=CC=CC=C4Cl.Cl.Cl |
| InChIKey | RODLNYLAAUDFGW-UHFFFAOYSA-N |
Product Overview
RefChem:239337 (CAS 90619-38-8), with molecular formula C21H28Cl3N3O2 and molecular weight 459.12 g/mol. IUPAC: 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione;dihydrochloride.
Chemical Property Profile of RefChem:239337
Property Insights of RefChem:239337
The XLogP value of 3.65 indicates that RefChem:239337 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, RefChem:239337 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239337 has 2 hydrogen bond donor(s) and 4 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:239337?
The CAS number of RefChem:239337 is 90619-38-8.
What is the molecular formula of RefChem:239337?
The molecular formula of RefChem:239337 is C21H28Cl3N3O2.
What is the molecular weight of RefChem:239337?
The molecular weight of RefChem:239337 is 459.12 g/mol.
Where can I buy RefChem:239337?
You can request a quote for RefChem:239337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239337?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.