4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol
TL;DR: 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol (CAS 120381-53-5) is a chemical compound with molecular formula C14H12OS and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-phenylthiophen-2-yl)but-3-yn-1-ol
Also Known As: 4-(5-phenylthiophen-2-yl)but-3-yn-1-ol, 4-(5-phenyl-2-thienyl)but-3-yn-1-ol, 3-Butyn-1-ol, 4-(5-phenyl-2-thienyl)-
| Molecular Formula | C14H12OS |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.06088 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 120381-53-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(S2)C#CCCO |
| InChIKey | ZRMYJBUSTZGHDY-UHFFFAOYSA-N |
Product Overview
4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol (CAS 120381-53-5), with molecular formula C14H12OS and molecular weight 228.06 g/mol. IUPAC: 4-(5-phenylthiophen-2-yl)but-3-yn-1-ol.
Chemical Property Profile of 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol
Property Insights of 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol
The XLogP value of 3.3 indicates that 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.5 Ų, 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol has 1 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 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol?
The CAS number of 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol is 120381-53-5.
What is the molecular formula of 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol?
The molecular formula of 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol is C14H12OS.
What is the molecular weight of 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol?
The molecular weight of 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol is 228.06 g/mol.
Where can I buy 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol?
You can request a quote for 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Phenylthiophen-2-yl)but-3-yn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.