2-(3-Phenylpropyl)butanedioic acid
TL;DR: 2-(3-Phenylpropyl)butanedioic acid (CAS 97025-14-4) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenylpropyl)butanedioic acid
Also Known As: 2-(3-phenylpropyl)butanedioic acid, 2-(3-phenylpropyl)succinic acid
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 97025-14-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC(CC(=O)O)C(=O)O |
| InChIKey | ZZJMHFGRUXTWRG-UHFFFAOYSA-N |
Product Overview
2-(3-Phenylpropyl)butanedioic acid (CAS 97025-14-4), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 2-(3-phenylpropyl)butanedioic acid.
Chemical Property Profile of 2-(3-Phenylpropyl)butanedioic acid
Property Insights of 2-(3-Phenylpropyl)butanedioic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Phenylpropyl)butanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Phenylpropyl)butanedioic acid. Following Lipinski's Rule of Five, 2-(3-Phenylpropyl)butanedioic 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 2-(3-Phenylpropyl)butanedioic acid?
The CAS number of 2-(3-Phenylpropyl)butanedioic acid is 97025-14-4.
What is the molecular formula of 2-(3-Phenylpropyl)butanedioic acid?
The molecular formula of 2-(3-Phenylpropyl)butanedioic acid is C13H16O4.
What is the molecular weight of 2-(3-Phenylpropyl)butanedioic acid?
The molecular weight of 2-(3-Phenylpropyl)butanedioic acid is 236.10 g/mol.
Where can I buy 2-(3-Phenylpropyl)butanedioic acid?
You can request a quote for 2-(3-Phenylpropyl)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Phenylpropyl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Phenylpropyl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.