![2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo- structure](/static/products/6535/653574-91-5.webp)
2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-
TL;DR: 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo- (CAS 653574-91-5) is a chemical compound with molecular formula C14H13NO5 and molecular weight 275.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(3-cyanopropoxy)phenyl]-4-hydroxy-2-oxobut-3-enoic acid
Also Known As: 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-, 4-[3-(3-cyanopropoxy)phenyl]-4-hydroxy-2-oxobut-3-enoic acid, 2-Butenoic acid,4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo
| Molecular Formula | C14H13NO5 |
|---|---|
| Molecular Weight | 275.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.07938 |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 653574-91-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCCCC#N)C(=CC(=O)C(=O)O)O |
| InChIKey | YCGRFFPPEOAEAU-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo- (CAS 653574-91-5), with molecular formula C14H13NO5 and molecular weight 275.08 g/mol. IUPAC: 4-[3-(3-cyanopropoxy)phenyl]-4-hydroxy-2-oxobut-3-enoic acid.
Chemical Property Profile of 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-
Property Insights of 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo- has 2 hydrogen bond donor(s) and 6 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-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-?
The CAS number of 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo- is 653574-91-5.
What is the molecular formula of 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-?
The molecular formula of 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo- is C14H13NO5.
What is the molecular weight of 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-?
The molecular weight of 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo- is 275.08 g/mol.
Where can I buy 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-?
You can request a quote for 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-[3-(3-cyanopropoxy)phenyl]-2-hydroxy-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.