1-Butoxy-4-tert-butylbenzene
TL;DR: 1-Butoxy-4-tert-butylbenzene (CAS 5891-68-9) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxy-4-tert-butylbenzene
Also Known As: 1-butoxy-4-tert-butylbenzene, butyl 4-t-butylphenyl ether, 1-butoxy-4-(tert-butyl)benzene, 1-butoxy-4-tert-butyl-benzene, 1-TERT-BUTYL-4-BUTOXYBENZENE
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 4.163 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 279.20218 |
Chemical Identifiers
| CAS Number | 5891-68-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(C)(C)C |
Product Overview
1-Butoxy-4-tert-butylbenzene (CAS 5891-68-9), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 1-butoxy-4-tert-butylbenzene.
Chemical Property Profile of 1-Butoxy-4-tert-butylbenzene
Property Insights of 1-Butoxy-4-tert-butylbenzene
The XLogP value of 4.163 indicates that 1-Butoxy-4-tert-butylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1-Butoxy-4-tert-butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxy-4-tert-butylbenzene has 0 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 1-Butoxy-4-tert-butylbenzene?
The CAS number of 1-Butoxy-4-tert-butylbenzene is 5891-68-9.
What is the molecular formula of 1-Butoxy-4-tert-butylbenzene?
The molecular formula of 1-Butoxy-4-tert-butylbenzene is C14H22O.
What is the molecular weight of 1-Butoxy-4-tert-butylbenzene?
The molecular weight of 1-Butoxy-4-tert-butylbenzene is 206.17 g/mol.
Where can I buy 1-Butoxy-4-tert-butylbenzene?
You can request a quote for 1-Butoxy-4-tert-butylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-4-tert-butylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-4-tert-butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.