Benzyl(phenoxymethyl)propanedioic acid
TL;DR: Benzyl(phenoxymethyl)propanedioic acid (CAS 891447-59-9) is a chemical compound with molecular formula C17H16O5 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-2-(phenoxymethyl)propanedioic acid
Also Known As: benzyl(phenoxymethyl)propanedioic acid, 2-benzyl-2-(phenoxymethyl)malonic acid, 2-benzyl-2-(phenoxymethyl)propanedioic Acid
| Molecular Formula | C17H16O5 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 2.4637 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.09976 |
| Heavy Atoms | 22 |
| Complexity | 622.6136 |
Chemical Identifiers
| CAS Number | 891447-59-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(COC2=CC=CC=C2)(C(=O)O)C(=O)O |
Product Overview
Benzyl(phenoxymethyl)propanedioic acid (CAS 891447-59-9), with molecular formula C17H16O5 and molecular weight 300.10 g/mol. IUPAC: 2-benzyl-2-(phenoxymethyl)propanedioic acid.
Chemical Property Profile of Benzyl(phenoxymethyl)propanedioic acid
Property Insights of Benzyl(phenoxymethyl)propanedioic acid
The XLogP value of 2.4637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl(phenoxymethyl)propanedioic acid. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl(phenoxymethyl)propanedioic acid. Following Lipinski's Rule of Five, Benzyl(phenoxymethyl)propanedioic acid has 2 hydrogen bond donor(s) and 3 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 Benzyl(phenoxymethyl)propanedioic acid?
The CAS number of Benzyl(phenoxymethyl)propanedioic acid is 891447-59-9.
What is the molecular formula of Benzyl(phenoxymethyl)propanedioic acid?
The molecular formula of Benzyl(phenoxymethyl)propanedioic acid is C17H16O5.
What is the molecular weight of Benzyl(phenoxymethyl)propanedioic acid?
The molecular weight of Benzyl(phenoxymethyl)propanedioic acid is 300.10 g/mol.
Where can I buy Benzyl(phenoxymethyl)propanedioic acid?
You can request a quote for Benzyl(phenoxymethyl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl(phenoxymethyl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzyl(phenoxymethyl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.