(2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid
TL;DR: (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid (CAS 57100-28-4) is a chemical compound with molecular formula C11H10O5 and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-hydroxyphenyl)pent-2-enedioic acid
Also Known As: Sphagnum acid, (E)-3-(4-hydroxyphenyl)pent-2-enedioic acid, p-Hydroxy-beta-[carboxymethyl]-cinnamic acid, (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid, (2E)-3-(4-hydroxyphenyl)pent-2-enedioic acid
| Molecular Formula | C11H10O5 |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 1.3349 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.05283 |
| Heavy Atoms | 16 |
| Complexity | 430.19308 |
Chemical Identifiers
| CAS Number | 57100-28-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C(=C/C(=O)O)/CC(=O)O)O |
Product Overview
(2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid (CAS 57100-28-4), with molecular formula C11H10O5 and molecular weight 222.05 g/mol. IUPAC: (E)-3-(4-hydroxyphenyl)pent-2-enedioic acid.
Chemical Property Profile of (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid
Property Insights of (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid
The XLogP value of 1.3349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid. Following Lipinski's Rule of Five, (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid has 3 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 (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid?
The CAS number of (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid is 57100-28-4.
What is the molecular formula of (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid?
The molecular formula of (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid is C11H10O5.
What is the molecular weight of (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid?
The molecular weight of (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid is 222.05 g/mol.
Where can I buy (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid?
You can request a quote for (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-Hydroxyphenyl)-2-pentenedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.