RefChem:1062624
TL;DR: RefChem:1062624 (CAS 62052-63-5) is a chemical compound with molecular formula C16H20O8S2 and molecular weight 404.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxy]-4-oxobut-2-enoic acid
Also Known As: 2-Butenedioic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester, (E)-4-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxy]-4-oxobut-2-enoic acid, (E)-4-[[2-[bis(propan-2-yloxycarbonyl)methylidene]-1,3-dithiolan-4-yl]oxy]-4-oxo-but-2-enoic Acid, RefChem:1062624
| Molecular Formula | C16H20O8S2 |
|---|---|
| Molecular Weight | 404.06 g/mol |
| LogP | 2.0913 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.05997 |
| Heavy Atoms | 26 |
| Complexity | 612.161 |
Chemical Identifiers
| CAS Number | 62052-63-5 |
|---|---|
| SMILES | CC(C)OC(=O)C(=C1SCC(S1)OC(=O)/C=C/C(=O)O)C(=O)OC(C)C |
Product Overview
RefChem:1062624 (CAS 62052-63-5), with molecular formula C16H20O8S2 and molecular weight 404.06 g/mol. IUPAC: (E)-4-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxy]-4-oxobut-2-enoic acid.
Chemical Property Profile of RefChem:1062624
Property Insights of RefChem:1062624
The XLogP value of 2.0913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1062624. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1062624. Following Lipinski's Rule of Five, RefChem:1062624 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:1062624?
The CAS number of RefChem:1062624 is 62052-63-5.
What is the molecular formula of RefChem:1062624?
The molecular formula of RefChem:1062624 is C16H20O8S2.
What is the molecular weight of RefChem:1062624?
The molecular weight of RefChem:1062624 is 404.06 g/mol.
Where can I buy RefChem:1062624?
You can request a quote for RefChem:1062624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062624?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.