2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)-
TL;DR: 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)- (CAS 20626-40-8) is a chemical compound with molecular formula C10H14O4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate
Also Known As: diethyl -3,3'-thiobisacrylate, EINECS 243-926-2, Diethyl (E,E)-3,3'-thiobisacrylate, 2-Propenoic acid, 3,3'-thiobis-, diethyl ester, (E,E)-, 3,3 -Thiobis(acrylic acid ethyl) ester
| Molecular Formula | C10H14O4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 1.8732 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 230.06128 |
| Heavy Atoms | 15 |
| Complexity | 232.14801 |
Chemical Identifiers
| CAS Number | 20626-40-8 |
|---|---|
| SMILES | CCOC(=O)/C=C/S/C=C/C(=O)OCC |
Product Overview
2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)- (CAS 20626-40-8), with molecular formula C10H14O4S and molecular weight 230.06 g/mol. IUPAC: ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)-
Property Insights of 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)-
The XLogP value of 1.8732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)-. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)- has 0 hydrogen bond donor(s) and 5 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 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)-?
The CAS number of 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)- is 20626-40-8.
What is the molecular formula of 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)-?
The molecular formula of 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)- is C10H14O4S.
What is the molecular weight of 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)-?
The molecular weight of 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)- is 230.06 g/mol.
Where can I buy 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)-?
You can request a quote for 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3,3'-thiobis-, 1,1'-diethyl ester, (2E,2'E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.