Nerone
TL;DR: Nerone (CAS 31375-17-4) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Nerone
1-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)propan-1-one
Also Known As: Nerone, Menthenyl ketone, neron, 2-Propionyl-6-menthene, 1-(p-Menthen-6-yl)-1-propanone
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 31375-17-4 |
|---|---|
| SMILES | CCC(=O)C1CC(CC=C1C)C(C)C |
| InChIKey | DZSVIVLGBJKQAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nerone (CAS 31375-17-4), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 1-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)propan-1-one.
Chemical Property Profile of Nerone
Property Insights of Nerone
The XLogP value of 3.1 indicates that Nerone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Nerone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nerone 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 Nerone?
The CAS number of Nerone is 31375-17-4.
What is the molecular formula of Nerone?
The molecular formula of Nerone is C13H22O.
What is the molecular weight of Nerone?
The molecular weight of Nerone is 194.17 g/mol.
Where can I buy Nerone?
You can request a quote for Nerone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nerone?
Yes, KEHONG BIO provides custom synthesis services for Nerone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.