4-氧-4-苯基-2-丁烯酸
TL;DR: 4-氧-4-苯基-2-丁烯酸 (CAS 583-06-2) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧-4-苯基-2-丁烯酸
4-oxo-4-phenylbut-2-enoic acid
Also Known As: 3-Benzoylacrylic acid, beta-Benzoylacrylic acid, trans-3-Benzoylacrylic acid, 3-BENZOYLACRYLICACID, 4-oxo-4-phenylbut-2-enoic acid
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 583-06-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=CC(=O)O |
| InChIKey | PLPDHGOODMBBGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氧-4-苯基-2-丁烯酸 (CAS 583-06-2), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 4-oxo-4-phenylbut-2-enoic acid.
Chemical Property Profile of 4-氧-4-苯基-2-丁烯酸
Property Insights of 4-氧-4-苯基-2-丁烯酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氧-4-苯基-2-丁烯酸. With a topological polar surface area (TPSA) of 54.4 Ų, 4-氧-4-苯基-2-丁烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-苯甲酰丙烯酸 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 β-苯甲酰丙烯酸?
The CAS number of β-苯甲酰丙烯酸 is 583-06-2.
What is the molecular formula of β-苯甲酰丙烯酸?
The molecular formula of β-苯甲酰丙烯酸 is C10H8O3.
What is the molecular weight of β-苯甲酰丙烯酸?
The molecular weight of β-苯甲酰丙烯酸 is 176.05 g/mol.
Where can I buy β-苯甲酰丙烯酸?
You can request a quote for β-苯甲酰丙烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-苯甲酰丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for β-苯甲酰丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.