3-Bromo-2-ketoglutarate
TL;DR: 3-Bromo-2-ketoglutarate (CAS 89469-94-3) is a chemical compound with molecular formula C5H5BrO5 and molecular weight 223.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-oxopentanedioic acid
Also Known As: Bromoketoglutarate, 3-bromo-2-oxopentanedioic acid, 3-Bromo-2-ketoglutarate, bromoketoglutaric acid, 3-bromo-2-oxoglutaric acid
| Molecular Formula | C5H5BrO5 |
|---|---|
| Molecular Weight | 223.93 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.93204 |
| Heavy Atoms | 11 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 89469-94-3 |
|---|---|
| SMILES | C(C(C(=O)C(=O)O)Br)C(=O)O |
| InChIKey | QFGLEMGINFKMPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-2-ketoglutarate (CAS 89469-94-3), with molecular formula C5H5BrO5 and molecular weight 223.93 g/mol. IUPAC: 3-bromo-2-oxopentanedioic acid.
Chemical Property Profile of 3-Bromo-2-ketoglutarate
Property Insights of 3-Bromo-2-ketoglutarate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-ketoglutarate. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-2-ketoglutarate. Following Lipinski's Rule of Five, 3-Bromo-2-ketoglutarate has 2 hydrogen bond donor(s) and 5 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 3-Bromo-2-ketoglutarate?
The CAS number of 3-Bromo-2-ketoglutarate is 89469-94-3.
What is the molecular formula of 3-Bromo-2-ketoglutarate?
The molecular formula of 3-Bromo-2-ketoglutarate is C5H5BrO5.
What is the molecular weight of 3-Bromo-2-ketoglutarate?
The molecular weight of 3-Bromo-2-ketoglutarate is 223.93 g/mol.
Where can I buy 3-Bromo-2-ketoglutarate?
You can request a quote for 3-Bromo-2-ketoglutarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2-ketoglutarate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-ketoglutarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.