3-(3-methylbutoxy)benzoic Acid
TL;DR: 3-(3-methylbutoxy)benzoic Acid (CAS 110698-30-1) 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.
3-(3-methylbutoxy)benzoic acid
Also Known As: 3-(3-methylbutoxy)benzoic Acid, 3-(ISOPENTYLOXY)BENZOIC ACID, 3-n-Pentoxybenzoic acid, 3-Isoamyloxy-benzoesaeure, 3-isopentyloxybenzoic acid
| 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 | 331.39404 |
Chemical Identifiers
| CAS Number | 110698-30-1 |
|---|---|
| SMILES | CC(C)CCOC1=CC=CC(=C1)C(=O)O |
Product Overview
3-(3-methylbutoxy)benzoic Acid (CAS 110698-30-1), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 3-(3-methylbutoxy)benzoic acid.
Chemical Property Profile of 3-(3-methylbutoxy)benzoic Acid
Property Insights of 3-(3-methylbutoxy)benzoic Acid
The XLogP value of 2.8097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-methylbutoxy)benzoic Acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-(3-methylbutoxy)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-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 3-(3-methylbutoxy)benzoic Acid?
The CAS number of 3-(3-methylbutoxy)benzoic Acid is 110698-30-1.
What is the molecular formula of 3-(3-methylbutoxy)benzoic Acid?
The molecular formula of 3-(3-methylbutoxy)benzoic Acid is C12H16O3.
What is the molecular weight of 3-(3-methylbutoxy)benzoic Acid?
The molecular weight of 3-(3-methylbutoxy)benzoic Acid is 208.11 g/mol.
Where can I buy 3-(3-methylbutoxy)benzoic Acid?
You can request a quote for 3-(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 3-(3-methylbutoxy)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methylbutoxy)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.