4-叔丁基-2,5-二甲基苯酚
TL;DR: 4-叔丁基-2,5-二甲基苯酚 (CAS 17696-37-6) 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.
4-叔丁基-2,5-二甲基苯酚
4-tert-butyl-2,5-dimethylphenol
Also Known As: 4-tert-butyl-2,5-dimethylphenol, 4-tert-Butyl-2,5-xylenol, Phenol, 4-(1,1-dimethylethyl)-2,5-dimethyl-, Phenyl 4-hydroxybenzoate, 4-(tert-Butyl)-2,5-dimethylphenol
| 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 | 17696-37-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1O)C)C(C)(C)C |
| InChIKey | ZSPDNAYHQYQUPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-叔丁基-2,5-二甲基苯酚 (CAS 17696-37-6), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 4-tert-butyl-2,5-dimethylphenol.
Chemical Property Profile of 4-叔丁基-2,5-二甲基苯酚
Property Insights of 4-叔丁基-2,5-二甲基苯酚
The XLogP value of 4.0 indicates that 4-叔丁基-2,5-二甲基苯酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-叔丁基-2,5-二甲基苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-叔丁基-2,5-二甲基苯酚 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 4-叔丁基-2,5-二甲基苯酚?
The CAS number of 4-叔丁基-2,5-二甲基苯酚 is 17696-37-6.
What is the molecular formula of 4-叔丁基-2,5-二甲基苯酚?
The molecular formula of 4-叔丁基-2,5-二甲基苯酚 is C12H18O.
What is the molecular weight of 4-叔丁基-2,5-二甲基苯酚?
The molecular weight of 4-叔丁基-2,5-二甲基苯酚 is 178.14 g/mol.
Where can I buy 4-叔丁基-2,5-二甲基苯酚?
You can request a quote for 4-叔丁基-2,5-二甲基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-叔丁基-2,5-二甲基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 4-叔丁基-2,5-二甲基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.