4-(3-Methylbutoxy)benzoic acid
TL;DR: 4-(3-Methylbutoxy)benzoic acid (CAS 430448-79-6) 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.
4-(3-methylbutoxy)benzoic acid
Also Known As: 4-(3-methylbutoxy)benzoic acid, 4-(isopentyloxy)benzoic acid, 4- -benzoicacid, 4-(3-Methyl-butoxy)-benzoic acid, 4-(Isopentyloxy)benzenecarboxylic acid
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 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 | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 430448-79-6 |
|---|---|
| SMILES | CC(C)CCOC1=CC=C(C=C1)C(=O)O |
| InChIKey | YNYYRDUFMDDJMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Methylbutoxy)benzoic acid (CAS 430448-79-6), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 4-(3-methylbutoxy)benzoic acid.
Chemical Property Profile of 4-(3-Methylbutoxy)benzoic acid
Property Insights of 4-(3-Methylbutoxy)benzoic acid
The XLogP value of 3.9 indicates that 4-(3-Methylbutoxy)benzoic 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, 4-(3-Methylbutoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methylbutoxy)benzoic 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 4-(3-Methylbutoxy)benzoic acid?
The CAS number of 4-(3-Methylbutoxy)benzoic acid is 430448-79-6.
What is the molecular formula of 4-(3-Methylbutoxy)benzoic acid?
The molecular formula of 4-(3-Methylbutoxy)benzoic acid is C12H16O3.
What is the molecular weight of 4-(3-Methylbutoxy)benzoic acid?
The molecular weight of 4-(3-Methylbutoxy)benzoic acid is 208.11 g/mol.
Where can I buy 4-(3-Methylbutoxy)benzoic acid?
You can request a quote for 4-(3-Methylbutoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methylbutoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methylbutoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.