Diethyl (2-bromoethylidene)propanedioate
TL;DR: Diethyl (2-bromoethylidene)propanedioate (CAS 51385-79-6) is a chemical compound with molecular formula C9H13BrO4 and molecular weight 264.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2-bromoethylidene)propanedioate
Also Known As: Diethyl (2-bromoethylidene)propanedioate, diethyl 2-(2-bromoethylidene)propanedioate, diethyl 2-(2-bromo-ethylidene)propanedioate, J3.512.820D, 2-(2-Bromoethylidene)malonic acid diethyl ester
| Molecular Formula | C9H13BrO4 |
|---|---|
| Molecular Weight | 264.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 263.99973 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 51385-79-6 |
|---|---|
| SMILES | CCOC(=O)C(=CCBr)C(=O)OCC |
| InChIKey | XSLZBBONCONAIT-UHFFFAOYSA-N |
Product Overview
Diethyl (2-bromoethylidene)propanedioate (CAS 51385-79-6), with molecular formula C9H13BrO4 and molecular weight 264.00 g/mol. IUPAC: diethyl 2-(2-bromoethylidene)propanedioate.
Chemical Property Profile of Diethyl (2-bromoethylidene)propanedioate
Property Insights of Diethyl (2-bromoethylidene)propanedioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (2-bromoethylidene)propanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl (2-bromoethylidene)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (2-bromoethylidene)propanedioate 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 Diethyl (2-bromoethylidene)propanedioate?
The CAS number of Diethyl (2-bromoethylidene)propanedioate is 51385-79-6.
What is the molecular formula of Diethyl (2-bromoethylidene)propanedioate?
The molecular formula of Diethyl (2-bromoethylidene)propanedioate is C9H13BrO4.
What is the molecular weight of Diethyl (2-bromoethylidene)propanedioate?
The molecular weight of Diethyl (2-bromoethylidene)propanedioate is 264.00 g/mol.
Where can I buy Diethyl (2-bromoethylidene)propanedioate?
You can request a quote for Diethyl (2-bromoethylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (2-bromoethylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-bromoethylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.