3-Furfuracrylic acid
TL;DR: 3-Furfuracrylic acid (CAS 52216-99-6) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(furan-2-yl)but-2-enoic acid
Also Known As: 3-FURFURACRYLIC ACID, 2-Furancrotonic acid, Acrylic acid, 3-furfuryl, 3-furfurylacrylic acid, 2-Butenoic acid, 4-(2-furanyl)-
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 1.4629 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 246.3107 |
Chemical Identifiers
| CAS Number | 52216-99-6 |
|---|---|
| SMILES | C1=COC(=C1)C/C=C/C(=O)O |
Product Overview
3-Furfuracrylic acid (CAS 52216-99-6), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: (E)-4-(furan-2-yl)but-2-enoic acid.
Chemical Property Profile of 3-Furfuracrylic acid
Property Insights of 3-Furfuracrylic acid
The XLogP value of 1.4629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Furfuracrylic acid. With a topological polar surface area (TPSA) of 50.44 Ų, 3-Furfuracrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Furfuracrylic 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 3-Furfuracrylic acid?
The CAS number of 3-Furfuracrylic acid is 52216-99-6.
What is the molecular formula of 3-Furfuracrylic acid?
The molecular formula of 3-Furfuracrylic acid is C8H8O3.
What is the molecular weight of 3-Furfuracrylic acid?
The molecular weight of 3-Furfuracrylic acid is 152.05 g/mol.
Where can I buy 3-Furfuracrylic acid?
You can request a quote for 3-Furfuracrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Furfuracrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Furfuracrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.