2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
TL;DR: 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione (CAS 64102-02-9) is a chemical compound with molecular formula C20H31ClO4S and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-dodecylsulfanyl-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Also Known As: 5-chloro-2,3-dimethoxy-6-1,4-benzoquinone, 5-Chloro-2,3-dimethoxy-6- -1,4-benzoquinone, Replaced CAS registry number(s): 66835-31-2, 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy, 5-Chloro-2,3-dimethoxy-6-(dodecylthio)-1,4-benzoquinone
| Molecular Formula | C20H31ClO4S |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 402.16315 |
| Heavy Atoms | 26 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 64102-02-9 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl |
| InChIKey | XZZRDSLWZIGIPZ-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione (CAS 64102-02-9), with molecular formula C20H31ClO4S and molecular weight 402.16 g/mol. IUPAC: 2-chloro-3-dodecylsulfanyl-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Property Insights of 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
The XLogP value of 7.5 indicates that 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione is 64102-02-9.
What is the molecular formula of 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione is C20H31ClO4S.
What is the molecular weight of 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione is 402.16 g/mol.
Where can I buy 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-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 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(dodecylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.