2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid
TL;DR: 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid (CAS 93570-95-7) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butan-2-yl-3-methylphenoxy)propanoic acid
Also Known As: 2-(4-butan-2-yl-3-methylphenoxy)propanoic acid, 2-(4-BUTAN-2-YL-3-METHYL-PHENOXY)PROPANOIC ACID, 2-[4-(Butan-2-yl)-3-methylphenoxy]propanoic acid
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 93570-95-7 |
|---|---|
| SMILES | CCC(C)C1=C(C=C(C=C1)OC(C)C(=O)O)C |
| InChIKey | DCIIVVHKTKERNJ-UHFFFAOYSA-N |
Product Overview
2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid (CAS 93570-95-7), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: 2-(4-butan-2-yl-3-methylphenoxy)propanoic acid.
Chemical Property Profile of 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid
Property Insights of 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid
The XLogP value of 3.9 indicates that 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid has 1 hydrogen bond donor(s) and 3 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-Butan-2-yl-3-methylphenoxy)propanoic acid?
The CAS number of 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid is 93570-95-7.
What is the molecular formula of 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid?
The molecular formula of 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid is C14H20O3.
What is the molecular weight of 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid?
The molecular weight of 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid is 236.14 g/mol.
Where can I buy 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid?
You can request a quote for 2-(4-Butan-2-yl-3-methylphenoxy)propanoic 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-Butan-2-yl-3-methylphenoxy)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Butan-2-yl-3-methylphenoxy)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.