Bis(2-bromoethyl) 2-methylidenebutanedioate
TL;DR: Bis(2-bromoethyl) 2-methylidenebutanedioate (CAS 116146-07-7) is a chemical compound with molecular formula C9H12Br2O4 and molecular weight 341.91022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-bromoethyl) 2-methylidenebutanedioate
Also Known As: bis(2-bromoethyl) 2-methylidenebutanedioate, Butanedioic acid,2-methylene-,1,4-bis(2-bromoethyl) ester, Butanedioic acid, 2-methylene-, 1,4-bis(2-bromoethyl) ester
Technical Specifications
| Molecular Formula | C9H12Br2O4 |
| Molecular Weight | 341.91022 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 341.91022 Da |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
| SMILES | C=C(CC(=O)OCCBr)C(=O)OCCBr |
| InChIKey | RCDYYVIUODNXOR-UHFFFAOYSA-N |
Chemical Property Profile of Bis(2-bromoethyl) 2-methylidenebutanedioate
Property Insights of Bis(2-bromoethyl) 2-methylidenebutanedioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-bromoethyl) 2-methylidenebutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(2-bromoethyl) 2-methylidenebutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-bromoethyl) 2-methylidenebutanedioate 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
What is the CAS number of Bis(2-bromoethyl) 2-methylidenebutanedioate?
The CAS number of Bis(2-bromoethyl) 2-methylidenebutanedioate is 116146-07-7.
What is the molecular formula of Bis(2-bromoethyl) 2-methylidenebutanedioate?
The molecular formula of Bis(2-bromoethyl) 2-methylidenebutanedioate is C9H12Br2O4.
What is the molecular weight of Bis(2-bromoethyl) 2-methylidenebutanedioate?
The molecular weight of Bis(2-bromoethyl) 2-methylidenebutanedioate is 341.91022 g/mol.
Where can I buy Bis(2-bromoethyl) 2-methylidenebutanedioate?
You can request a quote for Bis(2-bromoethyl) 2-methylidenebutanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(2-bromoethyl) 2-methylidenebutanedioate?
Yes, CoreyChem provides custom synthesis services for Bis(2-bromoethyl) 2-methylidenebutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.