Benzylmalonic acid
TL;DR: Benzylmalonic acid (CAS 616-75-1) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylpropanedioic acid
Also Known As: Benzylmalonic acid, 2-Benzylmalonic acid, 2-benzylpropanedioic acid, 2-Benzylmalonate, Benzomalonate acid
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 616-75-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)C(=O)O |
| InChIKey | JAEJSNFTJMYIEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylmalonic acid (CAS 616-75-1), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 2-benzylpropanedioic acid.
Chemical Property Profile of Benzylmalonic acid
Property Insights of Benzylmalonic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylmalonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylmalonic acid. Following Lipinski's Rule of Five, Benzylmalonic 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 Benzylmalonic acid?
The CAS number of Benzylmalonic acid is 616-75-1.
What is the molecular formula of Benzylmalonic acid?
The molecular formula of Benzylmalonic acid is C10H10O4.
What is the molecular weight of Benzylmalonic acid?
The molecular weight of Benzylmalonic acid is 194.06 g/mol.
Where can I buy Benzylmalonic acid?
You can request a quote for Benzylmalonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylmalonic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzylmalonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.