3,5-Di-tert-butyl-4-methoxytoluene
TL;DR: 3,5-Di-tert-butyl-4-methoxytoluene (CAS 1518-53-2) is a chemical compound with molecular formula C16H26O and molecular weight 234.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-ditert-butyl-2-methoxy-5-methylbenzene
Also Known As: Meo-bht, 3,5-Di-tert-butyl-4-methoxytoluene, 1,3-Ditert-butyl-2-methoxy-5-methylbenzene, 1,3-di-tert-butyl-2-methoxy-5-methylbenzene, 4-Methoxy-3,5-di-tert-butyltoluene
| Molecular Formula | C16H26O |
|---|---|
| Molecular Weight | 234.20 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.19836 |
| Heavy Atoms | 17 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 1518-53-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)OC)C(C)(C)C |
| InChIKey | TVWAVADIILZVIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Di-tert-butyl-4-methoxytoluene (CAS 1518-53-2), with molecular formula C16H26O and molecular weight 234.20 g/mol. IUPAC: 1,3-ditert-butyl-2-methoxy-5-methylbenzene.
Chemical Property Profile of 3,5-Di-tert-butyl-4-methoxytoluene
Property Insights of 3,5-Di-tert-butyl-4-methoxytoluene
The XLogP value of 5.6 indicates that 3,5-Di-tert-butyl-4-methoxytoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3,5-Di-tert-butyl-4-methoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-tert-butyl-4-methoxytoluene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Di-tert-butyl-4-methoxytoluene?
The CAS number of 3,5-Di-tert-butyl-4-methoxytoluene is 1518-53-2.
What is the molecular formula of 3,5-Di-tert-butyl-4-methoxytoluene?
The molecular formula of 3,5-Di-tert-butyl-4-methoxytoluene is C16H26O.
What is the molecular weight of 3,5-Di-tert-butyl-4-methoxytoluene?
The molecular weight of 3,5-Di-tert-butyl-4-methoxytoluene is 234.20 g/mol.
Where can I buy 3,5-Di-tert-butyl-4-methoxytoluene?
You can request a quote for 3,5-Di-tert-butyl-4-methoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Di-tert-butyl-4-methoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di-tert-butyl-4-methoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.