5-tert-Butyl-2,3-dimethylphenol
TL;DR: 5-tert-Butyl-2,3-dimethylphenol (CAS 23504-05-4) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2,3-dimethylphenol
Also Known As: 5-tert-butyl-2,3-dimethylphenol, 2,3-dimethyl-5-t-butylphenol, 2,3-Xylenol, 5-tert-butyl-, 2,3-dimethyl-5-tert-butyl-phenol, 898-769-8
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 23504-05-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)O)C(C)(C)C |
| InChIKey | MFGVECVSIDQTGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-tert-Butyl-2,3-dimethylphenol (CAS 23504-05-4), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 5-tert-butyl-2,3-dimethylphenol.
Chemical Property Profile of 5-tert-Butyl-2,3-dimethylphenol
Property Insights of 5-tert-Butyl-2,3-dimethylphenol
The XLogP value of 4.0 indicates that 5-tert-Butyl-2,3-dimethylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 5-tert-Butyl-2,3-dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-Butyl-2,3-dimethylphenol has 1 hydrogen bond donor(s) and 1 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-tert-Butyl-2,3-dimethylphenol?
The CAS number of 5-tert-Butyl-2,3-dimethylphenol is 23504-05-4.
What is the molecular formula of 5-tert-Butyl-2,3-dimethylphenol?
The molecular formula of 5-tert-Butyl-2,3-dimethylphenol is C12H18O.
What is the molecular weight of 5-tert-Butyl-2,3-dimethylphenol?
The molecular weight of 5-tert-Butyl-2,3-dimethylphenol is 178.14 g/mol.
Where can I buy 5-tert-Butyl-2,3-dimethylphenol?
You can request a quote for 5-tert-Butyl-2,3-dimethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-tert-Butyl-2,3-dimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 5-tert-Butyl-2,3-dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.