2-Benzyl-5-tert-butoxythiophene
TL;DR: 2-Benzyl-5-tert-butoxythiophene (CAS 55059-20-6) is a chemical compound with molecular formula C15H18OS and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5-[(2-methylpropan-2-yl)oxy]thiophene
Also Known As: 2-Benzyl-5-tert-butoxythiophene, 2-tert-Butyloxy-5-benzylthiophene, 2-benzyl-5-(tert-butoxy)thiophene, 2-Benzyl-5-tert-butoxythiophene #, 2-(1,1-Dimethylethoxy)-5-(phenylmethyl)thiophene
| Molecular Formula | C15H18OS |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 37.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.10783 |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 55059-20-6 |
|---|---|
| SMILES | CC(C)(C)OC1=CC=C(S1)CC2=CC=CC=C2 |
| InChIKey | FXZMQNHPMPGFOE-UHFFFAOYSA-N |
Product Overview
2-Benzyl-5-tert-butoxythiophene (CAS 55059-20-6), with molecular formula C15H18OS and molecular weight 246.11 g/mol. IUPAC: 2-benzyl-5-[(2-methylpropan-2-yl)oxy]thiophene.
Chemical Property Profile of 2-Benzyl-5-tert-butoxythiophene
Property Insights of 2-Benzyl-5-tert-butoxythiophene
The XLogP value of 4.8 indicates that 2-Benzyl-5-tert-butoxythiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.5 Ų, 2-Benzyl-5-tert-butoxythiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-5-tert-butoxythiophene has 0 hydrogen bond donor(s) and 2 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-Benzyl-5-tert-butoxythiophene?
The CAS number of 2-Benzyl-5-tert-butoxythiophene is 55059-20-6.
What is the molecular formula of 2-Benzyl-5-tert-butoxythiophene?
The molecular formula of 2-Benzyl-5-tert-butoxythiophene is C15H18OS.
What is the molecular weight of 2-Benzyl-5-tert-butoxythiophene?
The molecular weight of 2-Benzyl-5-tert-butoxythiophene is 246.11 g/mol.
Where can I buy 2-Benzyl-5-tert-butoxythiophene?
You can request a quote for 2-Benzyl-5-tert-butoxythiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-5-tert-butoxythiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-5-tert-butoxythiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.