Bromo(phenyl)propanedioic acid
TL;DR: Bromo(phenyl)propanedioic acid (CAS 5206-32-6) is a chemical compound with molecular formula C9H7BrO4 and molecular weight 257.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-2-phenylpropanedioic acid
Also Known As: Bromophenylmalonic acid, 2-bromo-2-phenylpropanedioic acid, Bromo(phenyl)propanedioic acid
| Molecular Formula | C9H7BrO4 |
|---|---|
| Molecular Weight | 257.95 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.95276 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 5206-32-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)(C(=O)O)Br |
| InChIKey | FWBYZATZWJYFBB-UHFFFAOYSA-N |
Product Overview
Bromo(phenyl)propanedioic acid (CAS 5206-32-6), with molecular formula C9H7BrO4 and molecular weight 257.95 g/mol. IUPAC: 2-bromo-2-phenylpropanedioic acid.
Chemical Property Profile of Bromo(phenyl)propanedioic acid
Property Insights of Bromo(phenyl)propanedioic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromo(phenyl)propanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromo(phenyl)propanedioic acid. Following Lipinski's Rule of Five, Bromo(phenyl)propanedioic acid has 2 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 Bromo(phenyl)propanedioic acid?
The CAS number of Bromo(phenyl)propanedioic acid is 5206-32-6.
What is the molecular formula of Bromo(phenyl)propanedioic acid?
The molecular formula of Bromo(phenyl)propanedioic acid is C9H7BrO4.
What is the molecular weight of Bromo(phenyl)propanedioic acid?
The molecular weight of Bromo(phenyl)propanedioic acid is 257.95 g/mol.
Where can I buy Bromo(phenyl)propanedioic acid?
You can request a quote for Bromo(phenyl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromo(phenyl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for Bromo(phenyl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.