tert-Butylcatechol
TL;DR: tert-Butylcatechol (CAS 4026-05-5) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylbenzene-1,2-diol
Also Known As: 3-(tert-Butyl)benzene-1,2-diol, tert-Butylcatechol, 3-tert-butylbenzene-1,2-diol, 3-tert-Butylpyrocatechol, t-butylcatechol
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 4026-05-5 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=CC=C1)O)O |
| InChIKey | JIGUICYYOYEXFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butylcatechol (CAS 4026-05-5), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 3-tert-butylbenzene-1,2-diol.
Chemical Property Profile of tert-Butylcatechol
Property Insights of tert-Butylcatechol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butylcatechol. With a topological polar surface area (TPSA) of 40.5 Ų, tert-Butylcatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butylcatechol 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 tert-Butylcatechol?
The CAS number of tert-Butylcatechol is 4026-05-5.
What is the molecular formula of tert-Butylcatechol?
The molecular formula of tert-Butylcatechol is C10H14O2.
What is the molecular weight of tert-Butylcatechol?
The molecular weight of tert-Butylcatechol is 166.10 g/mol.
Where can I buy tert-Butylcatechol?
You can request a quote for tert-Butylcatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butylcatechol?
Yes, KEHONG BIO provides custom synthesis services for tert-Butylcatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.