2-Benzyl-2-phenacylpropanedioic acid
TL;DR: 2-Benzyl-2-phenacylpropanedioic acid (CAS 81898-57-9) is a chemical compound with molecular formula C18H16O5 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-2-phenacylpropanedioic acid
Also Known As: 2-benzyl-2-phenacylpropanedioic acid, Benzyl-phenacyl-malonsaeure, benzyl(2-oxo-2-phenylethyl)propanedioic acid, Propanedioic acid,(2-oxo-2-phenylethyl)(phenylmethyl)- (9CI)
| Molecular Formula | C18H16O5 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.09976 |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 81898-57-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC(=O)C2=CC=CC=C2)(C(=O)O)C(=O)O |
| InChIKey | HJLLKGQASYBCEB-UHFFFAOYSA-N |
Product Overview
2-Benzyl-2-phenacylpropanedioic acid (CAS 81898-57-9), with molecular formula C18H16O5 and molecular weight 312.10 g/mol. IUPAC: 2-benzyl-2-phenacylpropanedioic acid.
Chemical Property Profile of 2-Benzyl-2-phenacylpropanedioic acid
Property Insights of 2-Benzyl-2-phenacylpropanedioic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-2-phenacylpropanedioic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzyl-2-phenacylpropanedioic acid. Following Lipinski's Rule of Five, 2-Benzyl-2-phenacylpropanedioic 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-Benzyl-2-phenacylpropanedioic acid?
The CAS number of 2-Benzyl-2-phenacylpropanedioic acid is 81898-57-9.
What is the molecular formula of 2-Benzyl-2-phenacylpropanedioic acid?
The molecular formula of 2-Benzyl-2-phenacylpropanedioic acid is C18H16O5.
What is the molecular weight of 2-Benzyl-2-phenacylpropanedioic acid?
The molecular weight of 2-Benzyl-2-phenacylpropanedioic acid is 312.10 g/mol.
Where can I buy 2-Benzyl-2-phenacylpropanedioic acid?
You can request a quote for 2-Benzyl-2-phenacylpropanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-2-phenacylpropanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-2-phenacylpropanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.