Isoarecolone
TL;DR: Isoarecolone (CAS 100752-88-3) is a chemical compound with molecular formula C8H13NO and molecular weight 139.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone
Also Known As: Isoarecolone, 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone, 1-(1,2,3,6-Tetrahydro-1-methyl-4-pyridinyl)ethanone, J2.362.729I, 4-Acetyl-1,2,3,6-tetrahydro-1-methylpyridine
| Molecular Formula | C8H13NO |
|---|---|
| Molecular Weight | 139.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.09972 |
| Heavy Atoms | 10 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 100752-88-3 |
|---|---|
| SMILES | CC(=O)C1=CCN(CC1)C |
| InChIKey | YYJCSIKNHFNEQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoarecolone (CAS 100752-88-3), with molecular formula C8H13NO and molecular weight 139.10 g/mol. IUPAC: 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanone.
Chemical Property Profile of Isoarecolone
Property Insights of Isoarecolone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoarecolone. With a topological polar surface area (TPSA) of 20.3 Ų, Isoarecolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoarecolone has 0 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 Isoarecolone?
The CAS number of Isoarecolone is 100752-88-3.
What is the molecular formula of Isoarecolone?
The molecular formula of Isoarecolone is C8H13NO.
What is the molecular weight of Isoarecolone?
The molecular weight of Isoarecolone is 139.10 g/mol.
Where can I buy Isoarecolone?
You can request a quote for Isoarecolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoarecolone?
Yes, KEHONG BIO provides custom synthesis services for Isoarecolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.