2-(Dodecylsulfanyl)-1,4-benzoquinone
TL;DR: 2-(Dodecylsulfanyl)-1,4-benzoquinone (CAS 55470-39-8) is a chemical compound with molecular formula C18H28O2S and molecular weight 308.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dodecylsulfanylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2-(dodecylsulfanyl)-1,4-benzoquinone, 2-dodecylsulfanylcyclohexa-2,5-diene-1,4-dione, 2-(Dodecylthio)-1,4-benzoquinone, 2-(DODECYLSULFANYL)CYCLOHEXA-2,5-DIENE-1,4-DIONE
| Molecular Formula | C18H28O2S |
|---|---|
| Molecular Weight | 308.18 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 308.181 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 55470-39-8 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=CC(=O)C=CC1=O |
| InChIKey | RIINWLSYFUDXFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Dodecylsulfanyl)-1,4-benzoquinone (CAS 55470-39-8), with molecular formula C18H28O2S and molecular weight 308.18 g/mol. IUPAC: 2-dodecylsulfanylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-(Dodecylsulfanyl)-1,4-benzoquinone
Property Insights of 2-(Dodecylsulfanyl)-1,4-benzoquinone
The XLogP value of 6.3 indicates that 2-(Dodecylsulfanyl)-1,4-benzoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, 2-(Dodecylsulfanyl)-1,4-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dodecylsulfanyl)-1,4-benzoquinone has 0 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 2-(Dodecylsulfanyl)-1,4-benzoquinone?
The CAS number of 2-(Dodecylsulfanyl)-1,4-benzoquinone is 55470-39-8.
What is the molecular formula of 2-(Dodecylsulfanyl)-1,4-benzoquinone?
The molecular formula of 2-(Dodecylsulfanyl)-1,4-benzoquinone is C18H28O2S.
What is the molecular weight of 2-(Dodecylsulfanyl)-1,4-benzoquinone?
The molecular weight of 2-(Dodecylsulfanyl)-1,4-benzoquinone is 308.18 g/mol.
Where can I buy 2-(Dodecylsulfanyl)-1,4-benzoquinone?
You can request a quote for 2-(Dodecylsulfanyl)-1,4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dodecylsulfanyl)-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dodecylsulfanyl)-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.