sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate
TL;DR: sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate (CAS 2121-94-0) is a chemical compound with molecular formula C18H26O4S and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(cyclohex-3-ene-1-carbonyloxy)ethylsulfanyl]ethyl cyclohex-3-ene-1-carboxylate
Also Known As: sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate, 2-[2-(cyclohex-3-ene-1-carbonyloxy)ethylsulfanyl]ethyl cyclohex-3-ene-1-carboxylate, Sulfanediyldi(ethane-2,1-diyl) dicyclohex-3-ene-1-carboxylate
| Molecular Formula | C18H26O4S |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 338.15518 |
| Heavy Atoms | 23 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 2121-94-0 |
|---|---|
| SMILES | C1CC(CC=C1)C(=O)OCCSCCOC(=O)C2CCC=CC2 |
| InChIKey | YPMDZJACSWRUEV-UHFFFAOYSA-N |
Product Overview
sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate (CAS 2121-94-0), with molecular formula C18H26O4S and molecular weight 338.16 g/mol. IUPAC: 2-[2-(cyclohex-3-ene-1-carbonyloxy)ethylsulfanyl]ethyl cyclohex-3-ene-1-carboxylate.
Chemical Property Profile of sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate
Property Insights of sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate
The XLogP value of 3.6 indicates that sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate 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 sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate. Following Lipinski's Rule of Five, sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate 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 sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate?
The CAS number of sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate is 2121-94-0.
What is the molecular formula of sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate?
The molecular formula of sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate is C18H26O4S.
What is the molecular weight of sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate?
The molecular weight of sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate is 338.16 g/mol.
Where can I buy sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate?
You can request a quote for sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for sulfanediyldiethane-2,1-diyl biscyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.