1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy-
TL;DR: 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy- (CAS 39226-85-2) is a chemical compound with molecular formula C22H30O3S and molecular weight 374.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-dodecylsulfanyl-4-hydroxynaphthalene-1,2-dione
Also Known As: N-Acetylglycyladenylate anhydride, 1, 2-(dodecylthio)-3-hydroxy-, 2-Hydroxy-3-n-dodecylmercapto-1,4-naphthoquinone, 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy-, 3-(dodecylsulfanyl)-4-hydroxynaphthalene-1,2-dione
| Molecular Formula | C22H30O3S |
|---|---|
| Molecular Weight | 374.19 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 374.19156 |
| Heavy Atoms | 26 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 39226-85-2 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=C(C2=CC=CC=C2C(=O)C1=O)O |
| InChIKey | ZUSSKXJQGKIKCW-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy- (CAS 39226-85-2), with molecular formula C22H30O3S and molecular weight 374.19 g/mol. IUPAC: 3-dodecylsulfanyl-4-hydroxynaphthalene-1,2-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy-
Property Insights of 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy-
The XLogP value of 7.2 indicates that 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy-. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy-?
The CAS number of 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy- is 39226-85-2.
What is the molecular formula of 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy-?
The molecular formula of 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy- is C22H30O3S.
What is the molecular weight of 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy-?
The molecular weight of 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy- is 374.19 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy-?
You can request a quote for 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-(dodecylthio)-3-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.