RefChem:86639
TL;DR: RefChem:86639 (CAS 72076-55-2) is a chemical compound with molecular formula C11H16ClNO2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-methylidene-3-piperidin-1-ium-1-ylcyclopent-2-en-1-one chloride
Also Known As: 1-(2-Hydroxy-4-methylene-3-oxo-1-cyclopenten-1-yl)piperidine hydrochloride, 2-Cyclopenten-1-one, 2-hydroxy-5-methylene-3-(1-piperidinyl)-, hydrochloride, 2-Cyclopenten-1-one, 2-hydroxy-5-methylene-3-(1-piperidinyl)-, hydrochloride (1:1), RefChem:86639
| Molecular Formula | C11H16ClNO2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | -2.6422 |
| Topological Polar Surface Area | 41.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.08696 |
| Heavy Atoms | 15 |
| Complexity | 316.54962 |
Chemical Identifiers
| CAS Number | 72076-55-2 |
|---|---|
| SMILES | C=C1CC(=C(C1=O)O)[NH+]2CCCCC2.[Cl-] |
Product Overview
RefChem:86639 (CAS 72076-55-2), with molecular formula C11H16ClNO2 and molecular weight 229.09 g/mol. IUPAC: 2-hydroxy-5-methylidene-3-piperidin-1-ium-1-ylcyclopent-2-en-1-one chloride.
Chemical Property Profile of RefChem:86639
Property Insights of RefChem:86639
The XLogP value of -2.6422 indicates that RefChem:86639 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.74 Ų, RefChem:86639 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:86639 has 2 hydrogen bond donor(s) and 2 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:86639?
The CAS number of RefChem:86639 is 72076-55-2.
What is the molecular formula of RefChem:86639?
The molecular formula of RefChem:86639 is C11H16ClNO2.
What is the molecular weight of RefChem:86639?
The molecular weight of RefChem:86639 is 229.09 g/mol.
Where can I buy RefChem:86639?
You can request a quote for RefChem:86639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:86639?
Yes, KEHONG BIO provides custom synthesis services for RefChem:86639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.