Propanedioic acid, 2-(3-phenylpropyl)-
TL;DR: Propanedioic acid, 2-(3-phenylpropyl)- (CAS 5454-06-8) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenylpropyl)propanedioic acid
Also Known As: 2-(3-Phenylpropyl)propanedioic acid, Benzylathylmalonsaure, 2- propanedioicacid, Potassium allyl xanthate, 3-Phenylpropylmalonic Acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 5454-06-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC(C(=O)O)C(=O)O |
| InChIKey | KRZLPCLVDVLDJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, 2-(3-phenylpropyl)- (CAS 5454-06-8), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 2-(3-phenylpropyl)propanedioic acid.
Chemical Property Profile of Propanedioic acid, 2-(3-phenylpropyl)-
Property Insights of Propanedioic acid, 2-(3-phenylpropyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, 2-(3-phenylpropyl)-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, 2-(3-phenylpropyl)-. Following Lipinski's Rule of Five, Propanedioic acid, 2-(3-phenylpropyl)- 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 Propanedioic acid, 2-(3-phenylpropyl)-?
The CAS number of Propanedioic acid, 2-(3-phenylpropyl)- is 5454-06-8.
What is the molecular formula of Propanedioic acid, 2-(3-phenylpropyl)-?
The molecular formula of Propanedioic acid, 2-(3-phenylpropyl)- is C12H14O4.
What is the molecular weight of Propanedioic acid, 2-(3-phenylpropyl)-?
The molecular weight of Propanedioic acid, 2-(3-phenylpropyl)- is 222.09 g/mol.
Where can I buy Propanedioic acid, 2-(3-phenylpropyl)-?
You can request a quote for Propanedioic acid, 2-(3-phenylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, 2-(3-phenylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, 2-(3-phenylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.