二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯
TL;DR: 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯 (CAS 19723-86-5) is a chemical compound with molecular formula C8H10O4S2 and molecular weight 234.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯
dimethyl 2-(1,3-dithiolan-2-ylidene)propanedioate
Also Known As: Dimethyl 1,3-dithiolan-2-ylidenemalonate, dimethyl 1,3-dithiolan-2-ylidenepropanedioate, Dimethyl 2-(1,3-dithiolan-2-ylidene)propanedioate, Dimethyl (1,3-dithiolan-2-ylidene)propanedioate, 1,3-Dithiolan-2-ylidenemalonic acid dimethyl ester
| Molecular Formula | C8H10O4S2 |
|---|---|
| Molecular Weight | 234.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.00204 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 19723-86-5 |
|---|---|
| SMILES | COC(=O)C(=C1SCCS1)C(=O)OC |
| InChIKey | QEOQJCDTDKSLCS-UHFFFAOYSA-N |
Product Overview
二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯 (CAS 19723-86-5), with molecular formula C8H10O4S2 and molecular weight 234.00 g/mol. IUPAC: dimethyl 2-(1,3-dithiolan-2-ylidene)propanedioate.
Chemical Property Profile of 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯
Property Insights of 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯. Following Lipinski's Rule of Five, 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯 has 0 hydrogen bond donor(s) and 6 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 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯?
The CAS number of 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯 is 19723-86-5.
What is the molecular formula of 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯?
The molecular formula of 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯 is C8H10O4S2.
What is the molecular weight of 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯?
The molecular weight of 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯 is 234.00 g/mol.
Where can I buy 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯?
You can request a quote for 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二甲基1,3-二硫杂环戊烷-2-亚基丙二酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.