Hexahydro-1-methyl-2(1H)-azocinone
TL;DR: Hexahydro-1-methyl-2(1H)-azocinone (CAS 1889-08-3) is a chemical compound with molecular formula CN1CCCCCCC1=O and molecular weight 141.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylazocan-2-one
Also Known As: 1-methylazocan-2-one, Hexahydro-1-methyl-2(1H)-azocinone, N-methyl-7-heptanelactam, 1-Methyloctahydroazocine-2-one, 2(1H)-Azocinone,hexahydro-1-methyl-
| Molecular Formula | CN1CCCCCCC1=O |
|---|---|
| Molecular Weight | 141.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.11537 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 1889-08-3 |
|---|---|
| SMILES | CN1CCCCCCC1=O |
| InChIKey | IJRHFDHZRCNEJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexahydro-1-methyl-2(1H)-azocinone (CAS 1889-08-3), with molecular formula CN1CCCCCCC1=O and molecular weight 141.12 g/mol. IUPAC: 1-methylazocan-2-one.
Chemical Property Profile of Hexahydro-1-methyl-2(1H)-azocinone
Property Insights of Hexahydro-1-methyl-2(1H)-azocinone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-1-methyl-2(1H)-azocinone. With a topological polar surface area (TPSA) of 20.3 Ų, Hexahydro-1-methyl-2(1H)-azocinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1-methyl-2(1H)-azocinone has 0 hydrogen bond donor(s) and 1 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 Hexahydro-1-methyl-2(1H)-azocinone?
The CAS number of Hexahydro-1-methyl-2(1H)-azocinone is 1889-08-3.
What is the molecular formula of Hexahydro-1-methyl-2(1H)-azocinone?
The molecular formula of Hexahydro-1-methyl-2(1H)-azocinone is CN1CCCCCCC1=O.
What is the molecular weight of Hexahydro-1-methyl-2(1H)-azocinone?
The molecular weight of Hexahydro-1-methyl-2(1H)-azocinone is 141.12 g/mol.
Where can I buy Hexahydro-1-methyl-2(1H)-azocinone?
You can request a quote for Hexahydro-1-methyl-2(1H)-azocinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1-methyl-2(1H)-azocinone?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1-methyl-2(1H)-azocinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.