5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
TL;DR: 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione (CAS 69241-83-4) is a chemical compound with molecular formula C15H22O4S and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-heptylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Also Known As: 2,4-dione, 5-(heptylthio)- 2,3-dimethoxy-, 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione, 5-heptylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C15H22O4S |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 298.12387 |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 69241-83-4 |
|---|---|
| SMILES | CCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC |
| InChIKey | KVRUQSUGKORLLJ-UHFFFAOYSA-N |
Product Overview
5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione (CAS 69241-83-4), with molecular formula C15H22O4S and molecular weight 298.12 g/mol. IUPAC: 5-heptylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Property Insights of 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
The XLogP value of 4.0 indicates that 5-(Heptylsulfanyl)-2,3-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 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-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 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione?
The CAS number of 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione is 69241-83-4.
What is the molecular formula of 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione?
The molecular formula of 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione is C15H22O4S.
What is the molecular weight of 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione?
The molecular weight of 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione is 298.12 g/mol.
Where can I buy 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione?
You can request a quote for 5-(Heptylsulfanyl)-2,3-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 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Heptylsulfanyl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.