4-Sec-butoxybenzoic acid
TL;DR: 4-Sec-butoxybenzoic acid (CAS 333755-69-4) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butan-2-yloxybenzoic acid
Also Known As: 4-sec-butoxybenzoic acid, 4-(sec-butoxy)benzoic acid, 4-butan-2-yloxybenzoic Acid, 4-sec-Butoxy-benzoic acid, 4-(butan-2-yloxy)benzoic acid
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.5621 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 302.8136 |
Chemical Identifiers
| CAS Number | 333755-69-4 |
|---|---|
| SMILES | CCC(C)OC1=CC=C(C=C1)C(=O)O |
Product Overview
4-Sec-butoxybenzoic acid (CAS 333755-69-4), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 4-butan-2-yloxybenzoic acid.
Chemical Property Profile of 4-Sec-butoxybenzoic acid
Property Insights of 4-Sec-butoxybenzoic acid
The XLogP value of 2.5621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Sec-butoxybenzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-Sec-butoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Sec-butoxybenzoic 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-Sec-butoxybenzoic acid?
The CAS number of 4-Sec-butoxybenzoic acid is 333755-69-4.
What is the molecular formula of 4-Sec-butoxybenzoic acid?
The molecular formula of 4-Sec-butoxybenzoic acid is C11H14O3.
What is the molecular weight of 4-Sec-butoxybenzoic acid?
The molecular weight of 4-Sec-butoxybenzoic acid is 194.09 g/mol.
Where can I buy 4-Sec-butoxybenzoic acid?
You can request a quote for 4-Sec-butoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Sec-butoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Sec-butoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.