2,4-Cyclopentadiene-1-carboxylic acid
TL;DR: 2,4-Cyclopentadiene-1-carboxylic acid (CAS 45520-93-2) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopenta-2,4-diene-1-carboxylic acid
Also Known As: cyclopentadienyl carboxylic acid, 2,4-Cyclopentadiene-1-carboxylic acid, Cyclopenta-2,4-diene-1-carboxylic Acid, 2,4-Cyclopentene-1-carboxylic acid, 2,4-Cyclopentadiene-1-carboxylicacid
| Molecular Formula | C6H6O2 |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.03678 |
| Heavy Atoms | 8 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 45520-93-2 |
|---|---|
| SMILES | C1=CC(C=C1)C(=O)O |
| InChIKey | XOQAUJORGNJWEX-UHFFFAOYSA-N |
Product Overview
2,4-Cyclopentadiene-1-carboxylic acid (CAS 45520-93-2), with molecular formula C6H6O2 and molecular weight 110.04 g/mol. IUPAC: cyclopenta-2,4-diene-1-carboxylic acid.
Chemical Property Profile of 2,4-Cyclopentadiene-1-carboxylic acid
Property Insights of 2,4-Cyclopentadiene-1-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Cyclopentadiene-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,4-Cyclopentadiene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Cyclopentadiene-1-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 2,4-Cyclopentadiene-1-carboxylic acid?
The CAS number of 2,4-Cyclopentadiene-1-carboxylic acid is 45520-93-2.
What is the molecular formula of 2,4-Cyclopentadiene-1-carboxylic acid?
The molecular formula of 2,4-Cyclopentadiene-1-carboxylic acid is C6H6O2.
What is the molecular weight of 2,4-Cyclopentadiene-1-carboxylic acid?
The molecular weight of 2,4-Cyclopentadiene-1-carboxylic acid is 110.04 g/mol.
Where can I buy 2,4-Cyclopentadiene-1-carboxylic acid?
You can request a quote for 2,4-Cyclopentadiene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Cyclopentadiene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Cyclopentadiene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.