5-Sec-butylpyrogallol
TL;DR: 5-Sec-butylpyrogallol (CAS 56707-65-4) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butan-2-ylbenzene-1,2,3-triol
Also Known As: 5-Sec-butylpyrogallol, 5-s-butylpyrogallol, 5-butan-2-ylbenzene-1,2,3-triol, 5-Sec-butyl-1,2,3-benzenetriol #, 5-(butan-2-yl)benzene-1,2,3-triol
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 56707-65-4 |
|---|---|
| SMILES | CCC(C)C1=CC(=C(C(=C1)O)O)O |
| InChIKey | HCJPMTKNALLGJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Sec-butylpyrogallol (CAS 56707-65-4), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: 5-butan-2-ylbenzene-1,2,3-triol.
Chemical Property Profile of 5-Sec-butylpyrogallol
Property Insights of 5-Sec-butylpyrogallol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Sec-butylpyrogallol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Sec-butylpyrogallol. Following Lipinski's Rule of Five, 5-Sec-butylpyrogallol 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 5-Sec-butylpyrogallol?
The CAS number of 5-Sec-butylpyrogallol is 56707-65-4.
What is the molecular formula of 5-Sec-butylpyrogallol?
The molecular formula of 5-Sec-butylpyrogallol is C10H14O3.
What is the molecular weight of 5-Sec-butylpyrogallol?
The molecular weight of 5-Sec-butylpyrogallol is 182.09 g/mol.
Where can I buy 5-Sec-butylpyrogallol?
You can request a quote for 5-Sec-butylpyrogallol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Sec-butylpyrogallol?
Yes, KEHONG BIO provides custom synthesis services for 5-Sec-butylpyrogallol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.