1-Methylhexahydroazocin-5-one
TL;DR: 1-Methylhexahydroazocin-5-one (CAS 71512-38-4) is a chemical compound with molecular formula C8H15NO 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-5-one
Also Known As: 1-methylazocan-5-one, 1-Methylhexahydroazocin-5-one, azocine, octahydro-1-methyl-5-oxo-, RefChem:232065
| Molecular Formula | C8H15NO |
|---|---|
| Molecular Weight | 141.12 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 141.11537 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 71512-38-4 |
|---|---|
| SMILES | CN1CCCC(=O)CCC1 |
| InChIKey | HXKFJDKQJXBMEY-UHFFFAOYSA-N |
Product Overview
1-Methylhexahydroazocin-5-one (CAS 71512-38-4), with molecular formula C8H15NO and molecular weight 141.12 g/mol. IUPAC: 1-methylazocan-5-one.
Chemical Property Profile of 1-Methylhexahydroazocin-5-one
Property Insights of 1-Methylhexahydroazocin-5-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylhexahydroazocin-5-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Methylhexahydroazocin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylhexahydroazocin-5-one 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 1-Methylhexahydroazocin-5-one?
The CAS number of 1-Methylhexahydroazocin-5-one is 71512-38-4.
What is the molecular formula of 1-Methylhexahydroazocin-5-one?
The molecular formula of 1-Methylhexahydroazocin-5-one is C8H15NO.
What is the molecular weight of 1-Methylhexahydroazocin-5-one?
The molecular weight of 1-Methylhexahydroazocin-5-one is 141.12 g/mol.
Where can I buy 1-Methylhexahydroazocin-5-one?
You can request a quote for 1-Methylhexahydroazocin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylhexahydroazocin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylhexahydroazocin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.