2,4-二甲基-6-叔丁基苯酚
TL;DR: 2,4-二甲基-6-叔丁基苯酚 (CAS 1879-09-0) 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.
2,4-二甲基-6-叔丁基苯酚
2-tert-butyl-4,6-dimethylphenol
Also Known As: 2-tert-Butyl-4,6-dimethylphenol, 6-tert-Butyl-2,4-xylenol, Topanol A, 2-(tert-Butyl)-4,6-dimethylphenol, 2,4-Dimethyl-6-tert-butylphenol
| 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 |
| Vapor Pressure | 0.01 [mmHg] |
Chemical Identifiers
| CAS Number | 1879-09-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C |
| InChIKey | OPLCSTZDXXUYDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二甲基-6-叔丁基苯酚 (CAS 1879-09-0), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2-tert-butyl-4,6-dimethylphenol.
Chemical Property Profile of 2,4-二甲基-6-叔丁基苯酚
Property Insights of 2,4-二甲基-6-叔丁基苯酚
The XLogP value of 4.0 indicates that 2,4-二甲基-6-叔丁基苯酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,4-二甲基-6-叔丁基苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-二甲基-6-叔丁基苯酚 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 2,4-二甲基-6-叔丁基苯酚?
The CAS number of 2,4-二甲基-6-叔丁基苯酚 is 1879-09-0.
What is the molecular formula of 2,4-二甲基-6-叔丁基苯酚?
The molecular formula of 2,4-二甲基-6-叔丁基苯酚 is C12H18O.
What is the molecular weight of 2,4-二甲基-6-叔丁基苯酚?
The molecular weight of 2,4-二甲基-6-叔丁基苯酚 is 178.14 g/mol.
Where can I buy 2,4-二甲基-6-叔丁基苯酚?
You can request a quote for 2,4-二甲基-6-叔丁基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二甲基-6-叔丁基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二甲基-6-叔丁基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.