1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol
TL;DR: 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol (CAS 26905-70-4) is a chemical compound with molecular formula C13H9ClOS and molecular weight 248.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-yn-2-ol
Also Known As: 2-(4-Chloro-3-hydroxy-1-butynyl)-5-(1,3-pentadiynyl)thiophene, 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol, 2(-4-Chloro-3-hydroxy-1-butynyl)-5-1,(3-pentadiynyl)thiophene, 1-chloro-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-yn-2-ol, 4CN-0136
| Molecular Formula | C13H9ClOS |
|---|---|
| Molecular Weight | 248.01 g/mol |
| LogP | 2.0741 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.00627 |
| Heavy Atoms | 16 |
| Complexity | 525.23975 |
Chemical Identifiers
| CAS Number | 26905-70-4 |
|---|---|
| SMILES | CC#CC#CC1=CC=C(S1)C#CC(CCl)O |
Product Overview
1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol (CAS 26905-70-4), with molecular formula C13H9ClOS and molecular weight 248.01 g/mol. IUPAC: 1-chloro-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-yn-2-ol.
Chemical Property Profile of 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol
Property Insights of 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol
The XLogP value of 2.0741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-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 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol?
The CAS number of 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol is 26905-70-4.
What is the molecular formula of 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol?
The molecular formula of 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol is C13H9ClOS.
What is the molecular weight of 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol?
The molecular weight of 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol is 248.01 g/mol.
Where can I buy 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol?
You can request a quote for 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.