4-(2-methylbutoxy)benzoic Acid
TL;DR: 4-(2-methylbutoxy)benzoic Acid (CAS 61799-89-1) 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-(2-methylbutoxy)benzoic acid
Also Known As: 4-(2-methylbutoxy)benzoic Acid, Benzoic acid,4-(2-methylbutoxy), Benzoic acid, 4-(2-methylbutoxy)-, J2.611.258C, RefChem:287323
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.8097 |
| 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 | 61799-89-1 |
|---|---|
| SMILES | CCC(C)COC1=CC=C(C=C1)C(=O)O |
Product Overview
4-(2-methylbutoxy)benzoic Acid (CAS 61799-89-1), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 4-(2-methylbutoxy)benzoic acid.
Chemical Property Profile of 4-(2-methylbutoxy)benzoic Acid
Property Insights of 4-(2-methylbutoxy)benzoic Acid
The XLogP value of 2.8097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-methylbutoxy)benzoic Acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(2-methylbutoxy)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-methylbutoxy)benzoic 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-(2-methylbutoxy)benzoic Acid?
The CAS number of 4-(2-methylbutoxy)benzoic Acid is 61799-89-1.
What is the molecular formula of 4-(2-methylbutoxy)benzoic Acid?
The molecular formula of 4-(2-methylbutoxy)benzoic Acid is C12H16O3.
What is the molecular weight of 4-(2-methylbutoxy)benzoic Acid?
The molecular weight of 4-(2-methylbutoxy)benzoic Acid is 208.11 g/mol.
Where can I buy 4-(2-methylbutoxy)benzoic Acid?
You can request a quote for 4-(2-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-(2-methylbutoxy)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-methylbutoxy)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.