2-(1,3-二氧代-3-苯基丙基)苯乙酸
TL;DR: 2-(1,3-二氧代-3-苯基丙基)苯乙酸 (CAS 114804-64-7) is a chemical compound with molecular formula C17H14O4 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-二氧代-3-苯基丙基)苯乙酸
2-[2-(3-oxo-3-phenylpropanoyl)phenyl]acetic acid
Also Known As: KST-1A0692, [2-(3-oxo-3-phenylpropanoyl)phenyl]acetic acid, Benzeneacetic acid, 2-(1,3-dioxo-3-phenylpropyl)-, 3-trifluoromethyl-cyclohexanecarboxylic acid, 2-[2-(3-oxo-3-phenylpropanoyl)phenyl]acetic acid
| Molecular Formula | C17H14O4 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.0892 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 114804-64-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2CC(=O)O |
| InChIKey | XYENGEKQZFIJRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-二氧代-3-苯基丙基)苯乙酸 (CAS 114804-64-7), with molecular formula C17H14O4 and molecular weight 282.09 g/mol. IUPAC: 2-[2-(3-oxo-3-phenylpropanoyl)phenyl]acetic acid.
Chemical Property Profile of 2-(1,3-二氧代-3-苯基丙基)苯乙酸
Property Insights of 2-(1,3-二氧代-3-苯基丙基)苯乙酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-二氧代-3-苯基丙基)苯乙酸. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-二氧代-3-苯基丙基)苯乙酸. Following Lipinski's Rule of Five, 2-(1,3-二氧代-3-苯基丙基)苯乙酸 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 2-(1,3-二氧代-3-苯基丙基)苯乙酸?
The CAS number of 2-(1,3-二氧代-3-苯基丙基)苯乙酸 is 114804-64-7.
What is the molecular formula of 2-(1,3-二氧代-3-苯基丙基)苯乙酸?
The molecular formula of 2-(1,3-二氧代-3-苯基丙基)苯乙酸 is C17H14O4.
What is the molecular weight of 2-(1,3-二氧代-3-苯基丙基)苯乙酸?
The molecular weight of 2-(1,3-二氧代-3-苯基丙基)苯乙酸 is 282.09 g/mol.
Where can I buy 2-(1,3-二氧代-3-苯基丙基)苯乙酸?
You can request a quote for 2-(1,3-二氧代-3-苯基丙基)苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-二氧代-3-苯基丙基)苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-二氧代-3-苯基丙基)苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.