2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy
TL;DR: 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy (CAS 64102-03-0) is a chemical compound with molecular formula C20H29ClO4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(6-cyclohexylhexylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Also Known As: 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy, 2-chloro-3-(6-cyclohexylhexylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione, 5-Chloro-6-[(6-cyclohexylhexyl)thio]-2,3-dimethoxy-1,4-benzoquinone, 2-chloro-3-(6-cyclohexylhexylsulfanyl)-5,6-dimethoxycyclohex, 2,4-dione, 2-chloro-3-[(6-cyclohexylhexyl)thio]-5,6-dimethoxy-
| Molecular Formula | C20H29ClO4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 400.14752 |
| Heavy Atoms | 26 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 64102-03-0 |
|---|---|
| SMILES | COC1=C(C(=O)C(=C(C1=O)SCCCCCCC2CCCCC2)Cl)OC |
| InChIKey | VNLXDNBRPHEFCG-UHFFFAOYSA-N |
Product Overview
2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy (CAS 64102-03-0), with molecular formula C20H29ClO4S and molecular weight 400.15 g/mol. IUPAC: 2-chloro-3-(6-cyclohexylhexylsulfanyl)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy
Property Insights of 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy
The XLogP value of 7.0 indicates that 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy 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 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy. Following Lipinski's Rule of Five, 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy 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 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy?
The CAS number of 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy is 64102-03-0.
What is the molecular formula of 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy?
The molecular formula of 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy is C20H29ClO4S.
What is the molecular weight of 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy?
The molecular weight of 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy is 400.15 g/mol.
Where can I buy 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy?
You can request a quote for 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dione,2-chloro-3-(dodecylthio)-5,6-dimethoxy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.