4-氧代-2-丁烯酸
TL;DR: 4-氧代-2-丁烯酸 (CAS 22418-77-5) is a chemical compound with molecular formula C4H4O3 and molecular weight 100.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代-2-丁烯酸
4-oxobut-2-enoic acid
Also Known As: oxobutenoate, Malealdehydic acid, Fumaraldehydic acid, beta-formylacrylic acid, A-formylacrylic acid
| Molecular Formula | C4H4O3 |
|---|---|
| Molecular Weight | 100.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.016045 |
| Heavy Atoms | 7 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 22418-77-5 |
|---|---|
| SMILES | C(=CC(=O)O)C=O |
| InChIKey | ZOIRMVZWDRLJPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氧代-2-丁烯酸 (CAS 22418-77-5), with molecular formula C4H4O3 and molecular weight 100.02 g/mol. IUPAC: 4-oxobut-2-enoic acid.
Chemical Property Profile of 4-氧代-2-丁烯酸
Property Insights of 4-氧代-2-丁烯酸
The XLogP value of -0.5 indicates that 4-氧代-2-丁烯酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, 4-氧代-2-丁烯酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氧代-2-丁烯酸 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 4-氧代-2-丁烯酸?
The CAS number of 4-氧代-2-丁烯酸 is 22418-77-5.
What is the molecular formula of 4-氧代-2-丁烯酸?
The molecular formula of 4-氧代-2-丁烯酸 is C4H4O3.
What is the molecular weight of 4-氧代-2-丁烯酸?
The molecular weight of 4-氧代-2-丁烯酸 is 100.02 g/mol.
Where can I buy 4-氧代-2-丁烯酸?
You can request a quote for 4-氧代-2-丁烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氧代-2-丁烯酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代-2-丁烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.