RefChem:239340
TL;DR: RefChem:239340 (CAS 55680-90-5) is a chemical compound with molecular formula C17H23ClN2O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-piperidin-1-ium-1-ylbut-2-ynyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride
Also Known As: 3a,4,7,7a-Tetrahydro-2-(4-(1-piperidinyl)-2-butynyl)-1H-isoindole-1,3(2H)-dione hydrochloride, Chlorowodorek N-(4-piperydyno-2-butinylo-1) imidu kwasu 1,2,3,6-tetrahydroftalowego [Polish], 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(1-piperidinyl)-2-butynyl)-, monohydrochloride, 2-(4-piperidin-1-ium-1-ylbut-2-ynyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride, Chlorowodorek N-(4-piperydyno-2-butinylo-1) imidu kwasu 1,2,3,6-tetrahydroftalowego
| Molecular Formula | C17H23ClN2O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | -2.99 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.1448 |
| Heavy Atoms | 22 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 55680-90-5 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC#CCN2C(=O)C3CC=CCC3C2=O.[Cl-] |
| InChIKey | XLXXXAYXQGSNNR-UHFFFAOYSA-N |
Product Overview
RefChem:239340 (CAS 55680-90-5), with molecular formula C17H23ClN2O2 and molecular weight 322.14 g/mol. IUPAC: 2-(4-piperidin-1-ium-1-ylbut-2-ynyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride.
Chemical Property Profile of RefChem:239340
Property Insights of RefChem:239340
The XLogP value of -2.99 indicates that RefChem:239340 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:239340 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239340 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:239340?
The CAS number of RefChem:239340 is 55680-90-5.
What is the molecular formula of RefChem:239340?
The molecular formula of RefChem:239340 is C17H23ClN2O2.
What is the molecular weight of RefChem:239340?
The molecular weight of RefChem:239340 is 322.14 g/mol.
Where can I buy RefChem:239340?
You can request a quote for RefChem:239340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239340?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.