Oxalic acid, bis(2-bromoethyl) ester
TL;DR: Oxalic acid, bis(2-bromoethyl) ester (CAS 89415-69-0) is a chemical compound with molecular formula C6H8Br2O4 and molecular weight 301.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-bromoethyl) oxalate
Also Known As: bis(2-bromoethyl) oxalate, Oxalic acid, bis(2-bromoethyl) ester, Bis(2-bromoethyl) ethanedioate, 1,2-Bis(2-bromoethyl) ethanedioate, BO 1165
| Molecular Formula | C6H8Br2O4 |
|---|---|
| Molecular Weight | 301.88 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.87894 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 89415-69-0 |
|---|---|
| SMILES | C(CBr)OC(=O)C(=O)OCCBr |
| InChIKey | GJKUEAJIJQTAKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxalic acid, bis(2-bromoethyl) ester (CAS 89415-69-0), with molecular formula C6H8Br2O4 and molecular weight 301.88 g/mol. IUPAC: bis(2-bromoethyl) oxalate.
Chemical Property Profile of Oxalic acid, bis(2-bromoethyl) ester
Property Insights of Oxalic acid, bis(2-bromoethyl) ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxalic acid, bis(2-bromoethyl) ester. With a topological polar surface area (TPSA) of 52.6 Ų, Oxalic acid, bis(2-bromoethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxalic acid, bis(2-bromoethyl) ester 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 Oxalic acid, bis(2-bromoethyl) ester?
The CAS number of Oxalic acid, bis(2-bromoethyl) ester is 89415-69-0.
What is the molecular formula of Oxalic acid, bis(2-bromoethyl) ester?
The molecular formula of Oxalic acid, bis(2-bromoethyl) ester is C6H8Br2O4.
What is the molecular weight of Oxalic acid, bis(2-bromoethyl) ester?
The molecular weight of Oxalic acid, bis(2-bromoethyl) ester is 301.88 g/mol.
Where can I buy Oxalic acid, bis(2-bromoethyl) ester?
You can request a quote for Oxalic acid, bis(2-bromoethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxalic acid, bis(2-bromoethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Oxalic acid, bis(2-bromoethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.