5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
TL;DR: 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione (CAS 69241-92-5) is a chemical compound with molecular formula C15H14O4S and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Also Known As: 5-benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione, 2,4-dione, 2,3-dimethoxy-5-[(phenylmethyl)thio]-, 5-(BENZYLSULFANYL)-2,3-DIMETHOXYCYCLOHEXA-2,5-DIENE-1,4-DIONE
| Molecular Formula | C15H14O4S |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.06128 |
| Heavy Atoms | 20 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 69241-92-5 |
|---|---|
| SMILES | COC1=C(C(=O)C(=CC1=O)SCC2=CC=CC=C2)OC |
| InChIKey | OSNZALALDYAWMJ-UHFFFAOYSA-N |
Product Overview
5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione (CAS 69241-92-5), with molecular formula C15H14O4S and molecular weight 290.06 g/mol. IUPAC: 5-benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Property Insights of 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 5-Benzylsulfanyl-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-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione?
The CAS number of 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione is 69241-92-5.
What is the molecular formula of 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione?
The molecular formula of 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione is C15H14O4S.
What is the molecular weight of 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione?
The molecular weight of 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione is 290.06 g/mol.
Where can I buy 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione?
You can request a quote for 5-Benzylsulfanyl-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-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylsulfanyl-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.