Dibenzyl 2,2'-sulfanediyldiacetate
TL;DR: Dibenzyl 2,2'-sulfanediyldiacetate (CAS 7497-95-2) is a chemical compound with molecular formula C18H18O4S and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(2-oxo-2-phenylmethoxyethyl)sulfanylacetate
Also Known As: BENZYL2- ACETATE, Dibenzyl 2,2'-sulfanediyldiacetate, benzyl 2-(2-oxo-2-phenylmethoxyethyl)sulfanylacetate, BENZYL 2-(PHENYLMETHOXYCARBONYLMETHYLSULFANYL)ACETATE
| Molecular Formula | C18H18O4S |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 330.0926 |
| Heavy Atoms | 23 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 7497-95-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSCC(=O)OCC2=CC=CC=C2 |
| InChIKey | FUIPYOPXPWSRKZ-UHFFFAOYSA-N |
Product Overview
Dibenzyl 2,2'-sulfanediyldiacetate (CAS 7497-95-2), with molecular formula C18H18O4S and molecular weight 330.09 g/mol. IUPAC: benzyl 2-(2-oxo-2-phenylmethoxyethyl)sulfanylacetate.
Chemical Property Profile of Dibenzyl 2,2'-sulfanediyldiacetate
Property Insights of Dibenzyl 2,2'-sulfanediyldiacetate
The XLogP value of 3.7 indicates that Dibenzyl 2,2'-sulfanediyldiacetate 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 Dibenzyl 2,2'-sulfanediyldiacetate. Following Lipinski's Rule of Five, Dibenzyl 2,2'-sulfanediyldiacetate 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 Dibenzyl 2,2'-sulfanediyldiacetate?
The CAS number of Dibenzyl 2,2'-sulfanediyldiacetate is 7497-95-2.
What is the molecular formula of Dibenzyl 2,2'-sulfanediyldiacetate?
The molecular formula of Dibenzyl 2,2'-sulfanediyldiacetate is C18H18O4S.
What is the molecular weight of Dibenzyl 2,2'-sulfanediyldiacetate?
The molecular weight of Dibenzyl 2,2'-sulfanediyldiacetate is 330.09 g/mol.
Where can I buy Dibenzyl 2,2'-sulfanediyldiacetate?
You can request a quote for Dibenzyl 2,2'-sulfanediyldiacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzyl 2,2'-sulfanediyldiacetate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl 2,2'-sulfanediyldiacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.