2-氧代-4-苯基丁-3-烯酸
TL;DR: 2-氧代-4-苯基丁-3-烯酸 (CAS 1914-59-6) 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.
2-氧代-4-苯基丁-3-烯酸
2-oxo-4-phenylbut-3-enoic acid
Also Known As: Benzalpyruvic Acid, benzylidenepyruvic acid, 2-oxo-4-phenylbut-3-enoic acid, 2-Oxo-4-phenyl-but-3-enoic acid, (E)-2-oxo-4-phenylbut-3-enoic acid
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 1.8 |
| 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 | 1914-59-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)C(=O)O |
| InChIKey | YQOUMBVFEWZLME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氧代-4-苯基丁-3-烯酸 (CAS 1914-59-6), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 2-oxo-4-phenylbut-3-enoic acid.
Chemical Property Profile of 2-氧代-4-苯基丁-3-烯酸
Property Insights of 2-氧代-4-苯基丁-3-烯酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氧代-4-苯基丁-3-烯酸. With a topological polar surface area (TPSA) of 54.4 Ų, 2-氧代-4-苯基丁-3-烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氧代-4-苯基丁-3-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 2-氧代-4-苯基丁-3-烯酸?
The CAS number of 2-氧代-4-苯基丁-3-烯酸 is 1914-59-6.
What is the molecular formula of 2-氧代-4-苯基丁-3-烯酸?
The molecular formula of 2-氧代-4-苯基丁-3-烯酸 is C10H8O3.
What is the molecular weight of 2-氧代-4-苯基丁-3-烯酸?
The molecular weight of 2-氧代-4-苯基丁-3-烯酸 is 176.05 g/mol.
Where can I buy 2-氧代-4-苯基丁-3-烯酸?
You can request a quote for 2-氧代-4-苯基丁-3-烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氧代-4-苯基丁-3-烯酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氧代-4-苯基丁-3-烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.