2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione
TL;DR: 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione (CAS 64101-97-9) is a chemical compound with molecular formula C16H24O4S and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethoxy-5-octylsulfanylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2,3-dimethoxy-5-octylsulfanylcyclohexa-2,5-diene-1,4-dione, 2,3-DIMETHOXY-5-(OCTYLSULFANYL)CYCLOHEXA-2,5-DIENE-1,4-DIONE
| Molecular Formula | C16H24O4S |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 312.13953 |
| Heavy Atoms | 21 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 64101-97-9 |
|---|---|
| SMILES | CCCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC |
| InChIKey | HJWWFWFGMWCDJK-UHFFFAOYSA-N |
Product Overview
2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione (CAS 64101-97-9), with molecular formula C16H24O4S and molecular weight 312.14 g/mol. IUPAC: 2,3-dimethoxy-5-octylsulfanylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione
Property Insights of 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione
The XLogP value of 4.5 indicates that 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-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 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione?
The CAS number of 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione is 64101-97-9.
What is the molecular formula of 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione is C16H24O4S.
What is the molecular weight of 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione is 312.14 g/mol.
Where can I buy 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-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 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethoxy-5-(octylsulfanyl)cyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.