RefChem:239341
TL;DR: RefChem:239341 (CAS 61356-04-5) is a chemical compound with molecular formula C21H27ClN2O3 and molecular weight 390.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride
Also Known As: 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-(1-piperidinyl)ethoxy)phenyl)-, monohydrochloride, 3a,4,7,7a-Tetrahydro-2-(4-(2-(1-piperidinyl)ethoxy)phenyl)-1H-isoindole-1,3(2H)-dione HCl, 2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride, 1H-ISOINDOLE-1,3(2H)-DIONE, 3a,4,7,7a-TETRAHYDRO-2-(4-(2-(1-PIPERIDINYL)ETHOXY)P, RefChem:239341
| Molecular Formula | C21H27ClN2O3 |
|---|---|
| Molecular Weight | 390.17 g/mol |
| LogP | -1.41 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.17102 |
| Heavy Atoms | 27 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 61356-04-5 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCOC2=CC=CC(=C2)N3C(=O)C4CC=CCC4C3=O.[Cl-] |
| InChIKey | KZCXMVISWNSAHG-UHFFFAOYSA-N |
Product Overview
RefChem:239341 (CAS 61356-04-5), with molecular formula C21H27ClN2O3 and molecular weight 390.17 g/mol. IUPAC: 2-[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride.
Chemical Property Profile of RefChem:239341
Property Insights of RefChem:239341
The XLogP value of -1.41 indicates that RefChem:239341 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.1 Ų, RefChem:239341 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239341 has 1 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:239341?
The CAS number of RefChem:239341 is 61356-04-5.
What is the molecular formula of RefChem:239341?
The molecular formula of RefChem:239341 is C21H27ClN2O3.
What is the molecular weight of RefChem:239341?
The molecular weight of RefChem:239341 is 390.17 g/mol.
Where can I buy RefChem:239341?
You can request a quote for RefChem:239341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239341?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.