Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy-
TL;DR: Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy- (CAS 68039-43-0) is a chemical compound with molecular formula C15H24O and molecular weight 220.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-ditert-butyl-5-methoxybenzene
Also Known As: 3,5-Di-tert-butyl anisole, 1,3-di-tert-butyl-5-methoxybenzene, 1-methoxy-3,5-ditert-butyl-benzene, 1,3-ditert-butyl-5-methoxybenzene, Benzene, 3,5-di-tert-butyl-1-methoxy-
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.18 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.18271 |
| Heavy Atoms | 16 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 68039-43-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)OC)C(C)(C)C |
| InChIKey | MKDJHJTUTKJVFV-UHFFFAOYSA-N |
Product Overview
Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy- (CAS 68039-43-0), with molecular formula C15H24O and molecular weight 220.18 g/mol. IUPAC: 1,3-ditert-butyl-5-methoxybenzene.
Chemical Property Profile of Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy-
Property Insights of Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy-
The XLogP value of 5.2 indicates that Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy- 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 Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy-?
The CAS number of Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy- is 68039-43-0.
What is the molecular formula of Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy-?
The molecular formula of Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy- is C15H24O.
What is the molecular weight of Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy-?
The molecular weight of Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy- is 220.18 g/mol.
Where can I buy Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy-?
You can request a quote for Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-bis(1,1-dimethylethyl)-5-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.