RefChem:239336
TL;DR: RefChem:239336 (CAS 61356-05-6) is a chemical compound with molecular formula C14H21ClN2O3 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-morpholin-4-ium-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride
Also Known As: 3a,4,7,7a-Tetrahydro-2-(2-(4-morpholinyl)ethyl)-1H-isoindole-1,3(2H)-dione hydrochloride, 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-(4-morpholinyl)ethyl)-, monohydrochloride, 2-(2-Morpholin-4-ium-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dionechloride, 1H-ISOINDOLE-1,3(2H)-DIONE, 3a,4,7,7a-TETRAHYDRO-2-(2-(4-MORPHOLINYL)ETHYL)-, MO, 2-(2-morpholin-4-ium-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride
| Molecular Formula | C14H21ClN2O3 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | -4.14 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.12408 |
| Heavy Atoms | 20 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 61356-05-6 |
|---|---|
| SMILES | C1COCC[NH+]1CCN2C(=O)C3CC=CCC3C2=O.[Cl-] |
| InChIKey | HRXWHVHAFSBKGJ-UHFFFAOYSA-N |
Product Overview
RefChem:239336 (CAS 61356-05-6), with molecular formula C14H21ClN2O3 and molecular weight 300.12 g/mol. IUPAC: 2-(2-morpholin-4-ium-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride.
Chemical Property Profile of RefChem:239336
Property Insights of RefChem:239336
The XLogP value of -4.14 indicates that RefChem:239336 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:239336 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239336 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:239336?
The CAS number of RefChem:239336 is 61356-05-6.
What is the molecular formula of RefChem:239336?
The molecular formula of RefChem:239336 is C14H21ClN2O3.
What is the molecular weight of RefChem:239336?
The molecular weight of RefChem:239336 is 300.12 g/mol.
Where can I buy RefChem:239336?
You can request a quote for RefChem:239336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239336?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.