呋喃丙烯酸
TL;DR: 呋喃丙烯酸 (CAS 539-47-9) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
呋喃丙烯酸
3-(furan-2-yl)prop-2-enoic acid
Also Known As: Furylacrylic acid, 3-(2-Furyl)acrylic acid, Furanacrylic acid, Sesamol, 3-(Furan-2-yl)acrylic acid
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.0317 |
| Heavy Atoms | 10 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 539-47-9 |
|---|---|
| SMILES | C1=COC(=C1)C=CC(=O)O |
| InChIKey | ZCJLOOJRNPHKAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
呋喃丙烯酸 (CAS 539-47-9), with molecular formula C7H6O3 and molecular weight 138.03 g/mol. IUPAC: 3-(furan-2-yl)prop-2-enoic acid.
Chemical Property Profile of 呋喃丙烯酸
Property Insights of 呋喃丙烯酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 呋喃丙烯酸. With a topological polar surface area (TPSA) of 50.4 Ų, 呋喃丙烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 呋喃丙烯酸 has 1 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 呋喃丙烯酸?
The CAS number of 呋喃丙烯酸 is 539-47-9.
What is the molecular formula of 呋喃丙烯酸?
The molecular formula of 呋喃丙烯酸 is C7H6O3.
What is the molecular weight of 呋喃丙烯酸?
The molecular weight of 呋喃丙烯酸 is 138.03 g/mol.
Where can I buy 呋喃丙烯酸?
You can request a quote for 呋喃丙烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 呋喃丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for 呋喃丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.