Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester
TL;DR: Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester (CAS 62052-57-7) is a chemical compound with molecular formula C16H22O8S2 and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(1,3-dioxo-1,3-dipropoxypropan-2-ylidene)-1,3-dithiolan-4-yl]oxy]-4-oxobutanoic acid
Also Known As: Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester, 4-[[2-(1,3-dioxo-1,3-dipropoxypropan-2-ylidene)-1,3-dithiolan-4-yl]oxy]-4-oxobutanoic acid, 4-{[2-(1,3-Dioxo-1,3-dipropoxypropan-2-ylidene)-1,3-dithiolan-4-yl]oxy}-4-oxobutanoic acid, RefChem:330613
| Molecular Formula | C16H22O8S2 |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 2.3185 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 406.07562 |
| Heavy Atoms | 26 |
| Complexity | 550.59705 |
Chemical Identifiers
| CAS Number | 62052-57-7 |
|---|---|
| SMILES | CCCOC(=O)C(=C1SCC(S1)OC(=O)CCC(=O)O)C(=O)OCCC |
Product Overview
Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester (CAS 62052-57-7), with molecular formula C16H22O8S2 and molecular weight 406.08 g/mol. IUPAC: 4-[[2-(1,3-dioxo-1,3-dipropoxypropan-2-ylidene)-1,3-dithiolan-4-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester
Property Insights of Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester
The XLogP value of 2.3185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester. Following Lipinski's Rule of Five, Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester has 1 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 Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester?
The CAS number of Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester is 62052-57-7.
What is the molecular formula of Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester?
The molecular formula of Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester is C16H22O8S2.
What is the molecular weight of Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester?
The molecular weight of Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester is 406.08 g/mol.
Where can I buy Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester?
You can request a quote for Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, mono(2-(2-oxo-2-propoxy-1-(propoxycarbonyl)ethylidene)-1,3-dithiolan-4-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.