Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate
TL;DR: Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate (CAS 507236-82-0) is a chemical compound with molecular formula C11H17ClO6S and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propanedioate
Also Known As: diethyl (4-chloro-1,1-dioxidotetrahydro-3-thienyl)malonate, Diethyl 2-(4-chloro-1,1-dioxo-thiolan-3-yl)propanedioate, diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propanedioate, diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate
| Molecular Formula | C11H17ClO6S |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 0.3808 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.04343 |
| Heavy Atoms | 19 |
| Complexity | 428.10178 |
Chemical Identifiers
| CAS Number | 507236-82-0 |
|---|---|
| SMILES | CCOC(=O)C(C1CS(=O)(=O)CC1Cl)C(=O)OCC |
Product Overview
Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate (CAS 507236-82-0), with molecular formula C11H17ClO6S and molecular weight 312.04 g/mol. IUPAC: diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propanedioate.
Chemical Property Profile of Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate
Property Insights of Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate
The XLogP value of 0.3808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate. Following Lipinski's Rule of Five, Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate has 0 hydrogen bond donor(s) and 6 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-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate?
The CAS number of Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate is 507236-82-0.
What is the molecular formula of Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate?
The molecular formula of Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate is C11H17ClO6S.
What is the molecular weight of Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate?
The molecular weight of Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate is 312.04 g/mol.
Where can I buy Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate?
You can request a quote for Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(4-chloro-1,1-dioxothiolan-3-yl)propane-1,3-dioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.