RefChem:229643
TL;DR: RefChem:229643 (CAS 62052-56-6) is a chemical compound with molecular formula C18H22O8S2 and molecular weight 430.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithiolan-4-yl]oxycarbonyl]cyclohexene-1-carboxylic acid
Also Known As: 1-Cyclohexene-1,2-dicarboxylic acid, mono(2-(2-ethoxy-1-(ethoxycarbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester, 2-({[2-(1,3-Diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithiolan-4-yl]oxy}carbonyl)cyclohex-1-ene-1-carboxylic acid, 2-[[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithiolan-4-yl]oxycarbonyl]cyclohexene-1-carboxylic acid, RefChem:229643
| Molecular Formula | C18H22O8S2 |
|---|---|
| Molecular Weight | 430.08 g/mol |
| LogP | 2.6287 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.07562 |
| Heavy Atoms | 28 |
| Complexity | 705.0972 |
Chemical Identifiers
| CAS Number | 62052-56-6 |
|---|---|
| SMILES | CCOC(=O)C(=C1SCC(S1)OC(=O)C2=C(CCCC2)C(=O)O)C(=O)OCC |
Product Overview
RefChem:229643 (CAS 62052-56-6), with molecular formula C18H22O8S2 and molecular weight 430.08 g/mol. IUPAC: 2-[[2-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithiolan-4-yl]oxycarbonyl]cyclohexene-1-carboxylic acid.
Chemical Property Profile of RefChem:229643
Property Insights of RefChem:229643
The XLogP value of 2.6287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:229643. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:229643. Following Lipinski's Rule of Five, RefChem:229643 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:229643?
The CAS number of RefChem:229643 is 62052-56-6.
What is the molecular formula of RefChem:229643?
The molecular formula of RefChem:229643 is C18H22O8S2.
What is the molecular weight of RefChem:229643?
The molecular weight of RefChem:229643 is 430.08 g/mol.
Where can I buy RefChem:229643?
You can request a quote for RefChem:229643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:229643?
Yes, KEHONG BIO provides custom synthesis services for RefChem:229643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.