3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid
TL;DR: 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid (CAS 865078-27-9) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dihydroxyphenyl)-3-methylbutanoic acid
Also Known As: 3-(3,4-dihydroxyphenyl)-3-methylbutanoic acid, 3-(3,4-dihydroxyphenyl)-3-methyl-butanoic Acid
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 1.8501 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 382.17435 |
Chemical Identifiers
| CAS Number | 865078-27-9 |
|---|---|
| SMILES | CC(C)(CC(=O)O)C1=CC(=C(C=C1)O)O |
Product Overview
3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid (CAS 865078-27-9), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: 3-(3,4-dihydroxyphenyl)-3-methylbutanoic acid.
Chemical Property Profile of 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid
Property Insights of 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid
The XLogP value of 1.8501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid. Following Lipinski's Rule of Five, 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid has 3 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 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid?
The CAS number of 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid is 865078-27-9.
What is the molecular formula of 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid?
The molecular formula of 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid is C11H14O4.
What is the molecular weight of 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid?
The molecular weight of 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid is 210.09 g/mol.
Where can I buy 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid?
You can request a quote for 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dihydroxyphenyl)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.