2-Butyl-5-isobutylthiophene
TL;DR: 2-Butyl-5-isobutylthiophene (CAS 54845-35-1) is a chemical compound with molecular formula C12H20S and molecular weight 196.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-5-(2-methylpropyl)thiophene
Also Known As: 2-Butyl-5-isobutylthiophene, 2-butyl-5-(2-methylpropyl)thiophene, Thiophene, 2-butyl-5-(2-methylpropyl)-, 2-Butyl-5-isobutylthiophene #, 2-(1-butyl)-5-(2-methyl-propyl)-thiophene
| Molecular Formula | C12H20S |
|---|---|
| Molecular Weight | 196.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.12857 |
| Heavy Atoms | 13 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 54845-35-1 |
|---|---|
| SMILES | CCCCC1=CC=C(S1)CC(C)C |
| InChIKey | HJCWKWZVISNUOT-UHFFFAOYSA-N |
Product Overview
2-Butyl-5-isobutylthiophene (CAS 54845-35-1), with molecular formula C12H20S and molecular weight 196.13 g/mol. IUPAC: 2-butyl-5-(2-methylpropyl)thiophene.
Chemical Property Profile of 2-Butyl-5-isobutylthiophene
Property Insights of 2-Butyl-5-isobutylthiophene
The XLogP value of 5.0 indicates that 2-Butyl-5-isobutylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, 2-Butyl-5-isobutylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-5-isobutylthiophene 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 2-Butyl-5-isobutylthiophene?
The CAS number of 2-Butyl-5-isobutylthiophene is 54845-35-1.
What is the molecular formula of 2-Butyl-5-isobutylthiophene?
The molecular formula of 2-Butyl-5-isobutylthiophene is C12H20S.
What is the molecular weight of 2-Butyl-5-isobutylthiophene?
The molecular weight of 2-Butyl-5-isobutylthiophene is 196.13 g/mol.
Where can I buy 2-Butyl-5-isobutylthiophene?
You can request a quote for 2-Butyl-5-isobutylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-5-isobutylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-5-isobutylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.