(p-Butyrylphenoxy)acetic acid
TL;DR: (p-Butyrylphenoxy)acetic acid (CAS 1141-96-4) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butanoylphenoxy)acetic acid
Also Known As: (p-Butyrylphenoxy)acetic acid, (4-Butyrylphenoxy)acetic acid, 2-(4-butanoylphenoxy)acetic acid, (4-Butyrylphenoxy)acetic acid #, Acetic acid, 2-[4-(1-oxobutyl)phenoxy]-
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 1141-96-4 |
|---|---|
| SMILES | CCCC(=O)C1=CC=C(C=C1)OCC(=O)O |
| InChIKey | QCIXWKODSWAQBX-UHFFFAOYSA-N |
Product Overview
(p-Butyrylphenoxy)acetic acid (CAS 1141-96-4), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 2-(4-butanoylphenoxy)acetic acid.
Chemical Property Profile of (p-Butyrylphenoxy)acetic acid
Property Insights of (p-Butyrylphenoxy)acetic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (p-Butyrylphenoxy)acetic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (p-Butyrylphenoxy)acetic acid. Following Lipinski's Rule of Five, (p-Butyrylphenoxy)acetic acid 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 (p-Butyrylphenoxy)acetic acid?
The CAS number of (p-Butyrylphenoxy)acetic acid is 1141-96-4.
What is the molecular formula of (p-Butyrylphenoxy)acetic acid?
The molecular formula of (p-Butyrylphenoxy)acetic acid is C12H14O4.
What is the molecular weight of (p-Butyrylphenoxy)acetic acid?
The molecular weight of (p-Butyrylphenoxy)acetic acid is 222.09 g/mol.
Where can I buy (p-Butyrylphenoxy)acetic acid?
You can request a quote for (p-Butyrylphenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (p-Butyrylphenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (p-Butyrylphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.