Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo-
TL;DR: Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo- (CAS 57148-29-5) is a chemical compound with molecular formula C16H13ClO4 and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-chlorophenoxy)phenyl]-4-oxobutanoic acid
Also Known As: NCIOpen2_007756, 4-[4-(4-chlorophenoxy)phenyl]-4-oxobutanoic acid, AI3-32908, Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo-, <3,4-Dichlor-phenyl>-carbamidsaeure-phenylester
| Molecular Formula | C16H13ClO4 |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.05023 |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 57148-29-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCC(=O)O)OC2=CC=C(C=C2)Cl |
| InChIKey | RBSRTJKBLCCGPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo- (CAS 57148-29-5), with molecular formula C16H13ClO4 and molecular weight 304.05 g/mol. IUPAC: 4-[4-(4-chlorophenoxy)phenyl]-4-oxobutanoic acid.
Chemical Property Profile of Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo-
Property Insights of Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo-
The XLogP value of 3.6 indicates that Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo- 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 Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo-. Following Lipinski's Rule of Five, Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo- 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 Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo-?
The CAS number of Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo- is 57148-29-5.
What is the molecular formula of Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo-?
The molecular formula of Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo- is C16H13ClO4.
What is the molecular weight of Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo-?
The molecular weight of Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo- is 304.05 g/mol.
Where can I buy Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo-?
You can request a quote for Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, 4-(4-chlorophenoxy)-gamma-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.