Listerine
TL;DR: Listerine (CAS 51273-66-6) is a chemical compound with molecular formula C30H52O3 and molecular weight 460.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-propan-2-ylcyclohexan-1-ol;5-methyl-2-propan-2-ylphenol;1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
Also Known As: Listerine, 1,4,7,10,13,17-Hexaazacycloeicosane, Alcohol mixture with eucalyptol, menthol, methyl salicylate and thymol, 5-methyl-2-propan-2-ylcyclohexan-1-ol;5-methyl-2-propan-2-ylphenol;1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane, Phenol, 5-methyl-2-(1-methylethyl)-, mixt. with 5-methyl-2-(1-methylethyl)cyclohexanol and 1,3,3-trimethyl-2-oxabicyclo(2.2.2)octane
| Molecular Formula | C30H52O3 |
|---|---|
| Molecular Weight | 460.39 g/mol |
| LogP | 8.01 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.39163 |
| Heavy Atoms | 33 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 51273-66-6 |
|---|---|
| SMILES | CC1CCC(C(C1)O)C(C)C.CC1=CC(=C(C=C1)C(C)C)O.CC1(C2CCC(O1)(CC2)C)C |
| InChIKey | CSAVDNHVPJNKTC-UHFFFAOYSA-N |
Product Overview
Listerine (CAS 51273-66-6), with molecular formula C30H52O3 and molecular weight 460.39 g/mol. IUPAC: 5-methyl-2-propan-2-ylcyclohexan-1-ol;5-methyl-2-propan-2-ylphenol;1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane.
Chemical Property Profile of Listerine
Property Insights of Listerine
The XLogP value of 8.01 indicates that Listerine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, Listerine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Listerine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Listerine?
The CAS number of Listerine is 51273-66-6.
What is the molecular formula of Listerine?
The molecular formula of Listerine is C30H52O3.
What is the molecular weight of Listerine?
The molecular weight of Listerine is 460.39 g/mol.
Where can I buy Listerine?
You can request a quote for Listerine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Listerine?
Yes, KEHONG BIO provides custom synthesis services for Listerine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.