2-Benzoylpropanedioic acid
TL;DR: 2-Benzoylpropanedioic acid (CAS 17579-69-0) is a chemical compound with molecular formula C10H8O5 and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoylpropanedioic acid
Also Known As: Benzoylmalonic acid, 2-benzoylpropanedioic acid, Benzoylmalonsaure, Benzoylpropanedioic acid, Propanedioic acid, benzoyl-
| Molecular Formula | C10H8O5 |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.03717 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 17579-69-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(C(=O)O)C(=O)O |
| InChIKey | RGCNRDSOFOALSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoylpropanedioic acid (CAS 17579-69-0), with molecular formula C10H8O5 and molecular weight 208.04 g/mol. IUPAC: 2-benzoylpropanedioic acid.
Chemical Property Profile of 2-Benzoylpropanedioic acid
Property Insights of 2-Benzoylpropanedioic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoylpropanedioic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoylpropanedioic acid. Following Lipinski's Rule of Five, 2-Benzoylpropanedioic acid 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 2-Benzoylpropanedioic acid?
The CAS number of 2-Benzoylpropanedioic acid is 17579-69-0.
What is the molecular formula of 2-Benzoylpropanedioic acid?
The molecular formula of 2-Benzoylpropanedioic acid is C10H8O5.
What is the molecular weight of 2-Benzoylpropanedioic acid?
The molecular weight of 2-Benzoylpropanedioic acid is 208.04 g/mol.
Where can I buy 2-Benzoylpropanedioic acid?
You can request a quote for 2-Benzoylpropanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoylpropanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoylpropanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.