4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1)
TL;DR: 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1) (CAS 25215-62-7) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-4-oxobut-2-enoic acid;styrene
Also Known As: 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1)
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 3.3001 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 25215-62-7 |
|---|---|
| SMILES | CCCCOC(=O)C=CC(=O)O.C=CC1=CC=CC=C1 |
| InChIKey | AAFCVNRTKWSHAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1) (CAS 25215-62-7), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: 4-butoxy-4-oxobut-2-enoic acid;styrene.
Chemical Property Profile of 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1)
Property Insights of 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1)
The XLogP value of 3.3001 indicates that 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1). Following Lipinski's Rule of Five, 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1) has 1 hydrogen bond donor(s) and 4 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-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1)?
The CAS number of 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1) is 25215-62-7.
What is the molecular formula of 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1)?
The molecular formula of 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1) is C16H20O4.
What is the molecular weight of 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1)?
The molecular weight of 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1) is 276.14 g/mol.
Where can I buy 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1)?
You can request a quote for 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxy-4-oxobut-2-enoic acid--ethenylbenzene (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.