Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate
TL;DR: Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate (CAS 57653-12-0) is a chemical compound with molecular formula C7H6O4Se3 and molecular weight 393.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate
Also Known As: dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate, Dimethyl 2-selanylidene-2H-1,3-diselenole-4,5-dicarboxylate
| Molecular Formula | C7H6O4Se3 |
|---|---|
| Molecular Weight | 393.78 g/mol |
| LogP | -0.92571 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.77618 |
| Heavy Atoms | 14 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 57653-12-0 |
|---|---|
| SMILES | COC(=O)C1=C([Se]C(=[Se])[Se]1)C(=O)OC |
| InChIKey | WDDSRBFVWXNCPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate (CAS 57653-12-0), with molecular formula C7H6O4Se3 and molecular weight 393.78 g/mol. IUPAC: dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate.
Chemical Property Profile of Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate
Property Insights of Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate
The XLogP value of -0.92571 indicates that Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 4 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 Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate?
The CAS number of Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate is 57653-12-0.
What is the molecular formula of Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate?
The molecular formula of Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate is C7H6O4Se3.
What is the molecular weight of Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate?
The molecular weight of Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate is 393.78 g/mol.
Where can I buy Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate?
You can request a quote for Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-selanylidene-1,3-diselenole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.