Phenylbutenolide acetic acid
TL;DR: Phenylbutenolide acetic acid (CAS 7706-57-2) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Phenylbutenolide acetic acid
2-[4-(5-oxo-2H-furan-3-yl)phenyl]acetic acid
Also Known As: Phenylbutenolide acetic acid, 2-[4- phenyl]aceticacid, 2-[4-(5-oxo-2H-furan-3-yl)phenyl]acetic acid, (2-Oxo,2,5-dihydro,4-furyl)4-phenylacetic acid, [4-(5-Oxo-2,5-dihydrofuran-3-yl)phenyl]acetic acid
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 7706-57-2 |
|---|---|
| SMILES | C1C(=CC(=O)O1)C2=CC=C(C=C2)CC(=O)O |
| InChIKey | GPKDQHVWYJHJEA-UHFFFAOYSA-N |
Product Overview
Phenylbutenolide acetic acid (CAS 7706-57-2), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 2-[4-(5-oxo-2H-furan-3-yl)phenyl]acetic acid.
Chemical Property Profile of Phenylbutenolide acetic acid
Property Insights of Phenylbutenolide acetic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylbutenolide acetic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylbutenolide acetic acid. Following Lipinski's Rule of Five, 苯基丁内酯乙酸 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 苯基丁内酯乙酸?
The CAS number of 苯基丁内酯乙酸 is 7706-57-2.
What is the molecular formula of 苯基丁内酯乙酸?
The molecular formula of 苯基丁内酯乙酸 is C12H10O4.
What is the molecular weight of 苯基丁内酯乙酸?
The molecular weight of 苯基丁内酯乙酸 is 218.06 g/mol.
Where can I buy 苯基丁内酯乙酸?
You can request a quote for 苯基丁内酯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯基丁内酯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 苯基丁内酯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.