4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid
TL;DR: 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid (CAS 63165-02-6) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid
Also Known As: 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoic acid, 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid, 4-(3-Hydroxy-3-methyl-1-butyn-1-yl)benzoic acid, 4-(3-Hydroxy-3-methyl-1-butynyl)benzoic acid, 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoic Acid
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.5072 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 412.91095 |
Chemical Identifiers
| CAS Number | 63165-02-6 |
|---|---|
| SMILES | CC(C)(C#CC1=CC=C(C=C1)C(=O)O)O |
Product Overview
4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid (CAS 63165-02-6), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid.
Chemical Property Profile of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid
Property Insights of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid
The XLogP value of 1.5072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 57.53 Ų, 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid has 2 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-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?
The CAS number of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid is 63165-02-6.
What is the molecular formula of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?
The molecular formula of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid is C12H12O3.
What is the molecular weight of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?
The molecular weight of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid is 204.08 g/mol.
Where can I buy 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?
You can request a quote for 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)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-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.