RefChem:239338
TL;DR: RefChem:239338 (CAS 90619-35-5) is a chemical compound with molecular formula C22H31Cl2N3O2 and molecular weight 439.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(2-methylphenyl)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-methylphenyl)-1-piperazinyl)propyl)-, dihydrochloride, 2-[3-[4-(2-methylphenyl)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-METHYLPHENYL)-1-PIPE, 2-{3-[4-(2-Methylphenyl)piperazin-1-yl]propyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione--hydrogen chloride (1/2), RefChem:239338
| Molecular Formula | C22H31Cl2N3O2 |
|---|---|
| Molecular Weight | 439.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.17932 |
| Heavy Atoms | 29 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 90619-35-5 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CC=CCC4C3=O.Cl.Cl |
| InChIKey | FIDGHMPZAAGYOQ-UHFFFAOYSA-N |
Product Overview
RefChem:239338 (CAS 90619-35-5), with molecular formula C22H31Cl2N3O2 and molecular weight 439.18 g/mol. IUPAC: 2-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione;dihydrochloride.
Chemical Property Profile of RefChem:239338
Property Insights of RefChem:239338
The XLogP value of 3.3 indicates that RefChem:239338 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:239338 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239338 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:239338?
The CAS number of RefChem:239338 is 90619-35-5.
What is the molecular formula of RefChem:239338?
The molecular formula of RefChem:239338 is C22H31Cl2N3O2.
What is the molecular weight of RefChem:239338?
The molecular weight of RefChem:239338 is 439.18 g/mol.
Where can I buy RefChem:239338?
You can request a quote for RefChem:239338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239338?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.