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Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate
TL;DR: Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate (CAS 75305-40-7) is a chemical compound with molecular formula C20H22O8S3 and molecular weight 486.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate
Also Known As: diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate, Diethyl {[di(benzenesulfonyl)methyl]sulfanyl}propanedioate
| Molecular Formula | C20H22O8S3 |
|---|---|
| Molecular Weight | 486.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 486.04767 |
| Heavy Atoms | 31 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 75305-40-7 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)SC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | UXOWXEAYQGELQZ-UHFFFAOYSA-N |
Product Overview
Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate (CAS 75305-40-7), with molecular formula C20H22O8S3 and molecular weight 486.05 g/mol. IUPAC: diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate.
Chemical Property Profile of Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate
Property Insights of Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate
The XLogP value of 3.8 indicates that Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate has 0 hydrogen bond donor(s) and 9 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 Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate?
The CAS number of Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate is 75305-40-7.
What is the molecular formula of Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate?
The molecular formula of Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate is C20H22O8S3.
What is the molecular weight of Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate?
The molecular weight of Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate is 486.05 g/mol.
Where can I buy Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate?
You can request a quote for Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.