RefChem:239335
TL;DR: RefChem:239335 (CAS 61356-02-3) is a chemical compound with molecular formula C15H23ClN2O2 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-piperidin-1-ium-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride
Also Known As: 3a,4,7,7a-Tetrahydro-2-(2-(1-piperidinyl)ethyl)-1H-isoindole-1,3(2H)-dione hydrochloride, 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-(1-piperidinyl)ethyl)-, monohydrochloride, 2-(2-Piperidin-1-ium-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dionechloride, 1H-ISOINDOLE-1,3(2H)-DIONE, 3a,4,7,7a-TETRAHYDRO-2-(2-(1-PIPERIDINYL)ETHYL)-, MO, 2-(2-piperidin-1-ium-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride
| Molecular Formula | C15H23ClN2O2 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | -2.99 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.1448 |
| Heavy Atoms | 20 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 61356-02-3 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCN2C(=O)C3CC=CCC3C2=O.[Cl-] |
| InChIKey | RSYZIXZJAFJIAU-UHFFFAOYSA-N |
Product Overview
RefChem:239335 (CAS 61356-02-3), with molecular formula C15H23ClN2O2 and molecular weight 298.14 g/mol. IUPAC: 2-(2-piperidin-1-ium-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride.
Chemical Property Profile of RefChem:239335
Property Insights of RefChem:239335
The XLogP value of -2.99 indicates that RefChem:239335 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.8 Ų, RefChem:239335 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239335 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:239335?
The CAS number of RefChem:239335 is 61356-02-3.
What is the molecular formula of RefChem:239335?
The molecular formula of RefChem:239335 is C15H23ClN2O2.
What is the molecular weight of RefChem:239335?
The molecular weight of RefChem:239335 is 298.14 g/mol.
Where can I buy RefChem:239335?
You can request a quote for RefChem:239335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239335?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.