2-Isopentyl-5-propylthiophene
TL;DR: 2-Isopentyl-5-propylthiophene (CAS 54845-34-0) 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-(3-methylbutyl)-5-propylthiophene
Also Known As: 2-Isopentyl-5-propylthiophene, 2-Isopentyl-5-propylthiophene #, 2-(3-methylbutyl)-5-propylthiophene, Thiophene, 2-(3-methylbutyl)-5-propyl-
| Molecular Formula | C12H20S |
|---|---|
| Molecular Weight | 196.13 g/mol |
| LogP | 4.8 |
| 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 | 54845-34-0 |
|---|---|
| SMILES | CCCC1=CC=C(S1)CCC(C)C |
| InChIKey | AEAISDGNZHADFV-UHFFFAOYSA-N |
Product Overview
2-Isopentyl-5-propylthiophene (CAS 54845-34-0), with molecular formula C12H20S and molecular weight 196.13 g/mol. IUPAC: 2-(3-methylbutyl)-5-propylthiophene.
Chemical Property Profile of 2-Isopentyl-5-propylthiophene
Property Insights of 2-Isopentyl-5-propylthiophene
The XLogP value of 4.8 indicates that 2-Isopentyl-5-propylthiophene 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-Isopentyl-5-propylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopentyl-5-propylthiophene 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-Isopentyl-5-propylthiophene?
The CAS number of 2-Isopentyl-5-propylthiophene is 54845-34-0.
What is the molecular formula of 2-Isopentyl-5-propylthiophene?
The molecular formula of 2-Isopentyl-5-propylthiophene is C12H20S.
What is the molecular weight of 2-Isopentyl-5-propylthiophene?
The molecular weight of 2-Isopentyl-5-propylthiophene is 196.13 g/mol.
Where can I buy 2-Isopentyl-5-propylthiophene?
You can request a quote for 2-Isopentyl-5-propylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopentyl-5-propylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopentyl-5-propylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.