(3-Phenoxypropyl)malonic acid
TL;DR: (3-Phenoxypropyl)malonic acid (CAS 63258-09-3) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenoxypropyl)propanedioic acid
Also Known As: (3-Phenoxypropyl)malonic acid, (3-phenoxy-propyl)-malonic acid, 2-(3-phenoxypropyl)malonic acid, 2-(3-phenoxypropyl)propanedioic acid
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 63258-09-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCC(C(=O)O)C(=O)O |
| InChIKey | NEAQOUUTPBNYKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Phenoxypropyl)malonic acid (CAS 63258-09-3), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: 2-(3-phenoxypropyl)propanedioic acid.
Chemical Property Profile of (3-Phenoxypropyl)malonic acid
Property Insights of (3-Phenoxypropyl)malonic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Phenoxypropyl)malonic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Phenoxypropyl)malonic acid. Following Lipinski's Rule of Five, (3-Phenoxypropyl)malonic 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 (3-Phenoxypropyl)malonic acid?
The CAS number of (3-Phenoxypropyl)malonic acid is 63258-09-3.
What is the molecular formula of (3-Phenoxypropyl)malonic acid?
The molecular formula of (3-Phenoxypropyl)malonic acid is C12H14O5.
What is the molecular weight of (3-Phenoxypropyl)malonic acid?
The molecular weight of (3-Phenoxypropyl)malonic acid is 238.08 g/mol.
Where can I buy (3-Phenoxypropyl)malonic acid?
You can request a quote for (3-Phenoxypropyl)malonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Phenoxypropyl)malonic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxypropyl)malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.