RefChem:330611
TL;DR: RefChem:330611 (CAS 62052-51-1) is a chemical compound with molecular formula C14H18O8S2 and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithiolan-4-yl]oxy]-4-oxobutanoic acid
Also Known As: Butanedioic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester, 4-[[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithiolan-4-yl]oxy]-4-oxobutanoic acid, 4-{[2-(1,3-Diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithiolan-4-yl]oxy}-4-oxobutanoic acid, RefChem:330611
| Molecular Formula | C14H18O8S2 |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 1.5383 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.0443 |
| Heavy Atoms | 24 |
| Complexity | 522.8925 |
Chemical Identifiers
| CAS Number | 62052-51-1 |
|---|---|
| SMILES | CCOC(=O)C(=C1SCC(S1)OC(=O)CCC(=O)O)C(=O)OCC |
Product Overview
RefChem:330611 (CAS 62052-51-1), with molecular formula C14H18O8S2 and molecular weight 378.04 g/mol. IUPAC: 4-[[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithiolan-4-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of RefChem:330611
Property Insights of RefChem:330611
The XLogP value of 1.5383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:330611. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:330611. Following Lipinski's Rule of Five, RefChem:330611 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 RefChem:330611?
The CAS number of RefChem:330611 is 62052-51-1.
What is the molecular formula of RefChem:330611?
The molecular formula of RefChem:330611 is C14H18O8S2.
What is the molecular weight of RefChem:330611?
The molecular weight of RefChem:330611 is 378.04 g/mol.
Where can I buy RefChem:330611?
You can request a quote for RefChem:330611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330611?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.