![2-[4-(Sec-butyl)phenoxy]acetic acid structure](/static/products/4917/4917-89-9.webp)
2-[4-(Sec-butyl)phenoxy]acetic acid
TL;DR: 2-[4-(Sec-butyl)phenoxy]acetic acid (CAS 4917-89-9) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butan-2-ylphenoxy)acetic acid
Also Known As: 2-[4-(sec-butyl)phenoxy]acetic acid, (4-sec-butylphenoxy)acetic acid, 2-(4-butan-2-ylphenoxy)acetic acid, P-sec-butylphenoxyacetic acid, p-sec-Butylphenoxyessigsaeure
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.6635 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 316.14404 |
Chemical Identifiers
| CAS Number | 4917-89-9 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)OCC(=O)O |
Product Overview
2-[4-(Sec-butyl)phenoxy]acetic acid (CAS 4917-89-9), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 2-(4-butan-2-ylphenoxy)acetic acid.
Chemical Property Profile of 2-[4-(Sec-butyl)phenoxy]acetic acid
Property Insights of 2-[4-(Sec-butyl)phenoxy]acetic acid
The XLogP value of 2.6635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(Sec-butyl)phenoxy]acetic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2-[4-(Sec-butyl)phenoxy]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(Sec-butyl)phenoxy]acetic 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 2-[4-(Sec-butyl)phenoxy]acetic acid?
The CAS number of 2-[4-(Sec-butyl)phenoxy]acetic acid is 4917-89-9.
What is the molecular formula of 2-[4-(Sec-butyl)phenoxy]acetic acid?
The molecular formula of 2-[4-(Sec-butyl)phenoxy]acetic acid is C12H16O3.
What is the molecular weight of 2-[4-(Sec-butyl)phenoxy]acetic acid?
The molecular weight of 2-[4-(Sec-butyl)phenoxy]acetic acid is 208.11 g/mol.
Where can I buy 2-[4-(Sec-butyl)phenoxy]acetic acid?
You can request a quote for 2-[4-(Sec-butyl)phenoxy]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Sec-butyl)phenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Sec-butyl)phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.