Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-
TL;DR: Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)- (CAS 29941-93-3) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butanoylphenoxy)-2-methylpropanoic acid
Also Known As: Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-, 2-Methyl-2-(4-(1-oxobutyl)phenoxy)propanoic acid, 2-(4-butanoylphenoxy)-2-methylpropanoic acid, BRN 2054980, RefChem:374758
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 29941-93-3 |
|---|---|
| SMILES | CCCC(=O)C1=CC=C(C=C1)OC(C)(C)C(=O)O |
| InChIKey | WYKLBLPNIRXWNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)- (CAS 29941-93-3), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 2-(4-butanoylphenoxy)-2-methylpropanoic acid.
Chemical Property Profile of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-
Property Insights of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)- 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 Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-?
The CAS number of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)- is 29941-93-3.
What is the molecular formula of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-?
The molecular formula of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)- is C14H18O4.
What is the molecular weight of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-?
The molecular weight of Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)- is 250.12 g/mol.
Where can I buy Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-?
You can request a quote for Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-2-(4-(1-oxobutyl)phenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.