Citric acid, tris(2-bromoethyl) ester
TL;DR: Citric acid, tris(2-bromoethyl) ester (CAS 127924-00-9) is a chemical compound with molecular formula C12H17Br3O7 and molecular weight 509.85245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tris(2-bromoethyl) 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: Tris(2-bromoethyl) citrate, Citric acid, tris(2-bromoethyl) ester, Citric acid, tris(2-bromoethyl)ester, 4-Amino-3,4'-dinitrodiphenylsulfide, tris(2-bromoethyl) 2-hydroxypropane-1,2,3-tricarboxylate
Technical Specifications
| Molecular Formula | C12H17Br3O7 |
| Molecular Weight | 509.85245 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 509.85245 Da |
| Heavy Atoms | 22 |
| Complexity | 354.0 |
| SMILES | C(CBr)OC(=O)CC(CC(=O)OCCBr)(C(=O)OCCBr)O |
| InChIKey | KESRAIZGURKHRD-UHFFFAOYSA-N |
Chemical Property Profile of Citric acid, tris(2-bromoethyl) ester
Property Insights of Citric acid, tris(2-bromoethyl) ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Citric acid, tris(2-bromoethyl) ester. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Citric acid, tris(2-bromoethyl) ester. Following Lipinski's Rule of Five, Citric acid, tris(2-bromoethyl) ester has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Citric acid, tris(2-bromoethyl) ester?
The CAS number of Citric acid, tris(2-bromoethyl) ester is 127924-00-9.
What is the molecular formula of Citric acid, tris(2-bromoethyl) ester?
The molecular formula of Citric acid, tris(2-bromoethyl) ester is C12H17Br3O7.
What is the molecular weight of Citric acid, tris(2-bromoethyl) ester?
The molecular weight of Citric acid, tris(2-bromoethyl) ester is 509.85245 g/mol.
Where can I buy Citric acid, tris(2-bromoethyl) ester?
You can request a quote for Citric acid, tris(2-bromoethyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Citric acid, tris(2-bromoethyl) ester?
Yes, CoreyChem provides custom synthesis services for Citric acid, tris(2-bromoethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.