3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
TL;DR: 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione (CAS 69037-94-1) is a chemical compound with molecular formula C20H32O3S and molecular weight 352.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-dodecylsulfanyl-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2,4-dione, 3-(dodecylthio)-5-methoxy-2-methyl-, 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione, 3-dodecylsulfanyl-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-, 3-dodecylsulfanyl-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C20H32O3S |
|---|---|
| Molecular Weight | 352.21 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 352.2072 |
| Heavy Atoms | 24 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 69037-94-1 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=C(C(=O)C=C(C1=O)OC)C |
| InChIKey | UERUYOKXRRXIFD-UHFFFAOYSA-N |
Product Overview
3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione (CAS 69037-94-1), with molecular formula C20H32O3S and molecular weight 352.21 g/mol. IUPAC: 3-dodecylsulfanyl-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
Property Insights of 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
The XLogP value of 6.9 indicates that 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione has 0 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 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione?
The CAS number of 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione is 69037-94-1.
What is the molecular formula of 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione?
The molecular formula of 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione is C20H32O3S.
What is the molecular weight of 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione?
The molecular weight of 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione is 352.21 g/mol.
Where can I buy 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione?
You can request a quote for 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dodecylsulfanyl)-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.