Nerone, trans-
TL;DR: Nerone, trans- (CAS 41766-71-6) 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.
1-[(1S,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]propan-1-one
Also Known As: Nerone, trans-, Nerone, trans-nerone, 1-Propanone, 1-(2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl)-, trans-
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 3.594 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 237.62012 |
Chemical Identifiers
| CAS Number | 41766-71-6 |
|---|---|
| SMILES | CCC(=O)[C@H]1C[C@@H](CC=C1C)C(C)C |
Product Overview
Nerone, trans- (CAS 41766-71-6), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 1-[(1S,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]propan-1-one.
Chemical Property Profile of Nerone, trans-
Property Insights of Nerone, trans-
The XLogP value of 3.594 indicates that Nerone, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Nerone, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nerone, trans- 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, trans-?
The CAS number of Nerone, trans- is 41766-71-6.
What is the molecular formula of Nerone, trans-?
The molecular formula of Nerone, trans- is C13H22O.
What is the molecular weight of Nerone, trans-?
The molecular weight of Nerone, trans- is 194.17 g/mol.
Where can I buy Nerone, trans-?
You can request a quote for Nerone, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nerone, trans-?
Yes, KEHONG BIO provides custom synthesis services for Nerone, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.