![4-[4-(Propan-2-yl)phenoxy]butanoic acid structure](/static/products/874/87411-32-3.png)
4-[4-(Propan-2-yl)phenoxy]butanoic acid
TL;DR: 4-[4-(Propan-2-yl)phenoxy]butanoic acid (CAS 87411-32-3) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-propan-2-ylphenoxy)butanoic acid
Also Known As: 4-[4-(propan-2-yl)phenoxy]butanoic acid, 4-(4-propan-2-ylphenoxy)butanoic Acid, Butanoic acid, 4-[4-(1-methylethyl)phenoxy]-, 4-(4-ISOPROPYLPHENOXY)BUTANOIC ACID, 4-[4-(methylethyl)phenoxy]butanoic acid
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.0536 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 327.53586 |
Chemical Identifiers
| CAS Number | 87411-32-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCCCC(=O)O |
Product Overview
4-[4-(Propan-2-yl)phenoxy]butanoic acid (CAS 87411-32-3), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 4-(4-propan-2-ylphenoxy)butanoic acid.
Chemical Property Profile of 4-[4-(Propan-2-yl)phenoxy]butanoic acid
Property Insights of 4-[4-(Propan-2-yl)phenoxy]butanoic acid
The XLogP value of 3.0536 indicates that 4-[4-(Propan-2-yl)phenoxy]butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 4-[4-(Propan-2-yl)phenoxy]butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(Propan-2-yl)phenoxy]butanoic acid has 1 hydrogen bond donor(s) and 2 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 4-[4-(Propan-2-yl)phenoxy]butanoic acid?
The CAS number of 4-[4-(Propan-2-yl)phenoxy]butanoic acid is 87411-32-3.
What is the molecular formula of 4-[4-(Propan-2-yl)phenoxy]butanoic acid?
The molecular formula of 4-[4-(Propan-2-yl)phenoxy]butanoic acid is C13H18O3.
What is the molecular weight of 4-[4-(Propan-2-yl)phenoxy]butanoic acid?
The molecular weight of 4-[4-(Propan-2-yl)phenoxy]butanoic acid is 222.13 g/mol.
Where can I buy 4-[4-(Propan-2-yl)phenoxy]butanoic acid?
You can request a quote for 4-[4-(Propan-2-yl)phenoxy]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(Propan-2-yl)phenoxy]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(Propan-2-yl)phenoxy]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.