5-(Phenylethynyl)thiophene-2-carbaldehyde
TL;DR: 5-(Phenylethynyl)thiophene-2-carbaldehyde (CAS 17257-10-2) is a chemical compound with molecular formula C13H8OS and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-phenylethynyl)thiophene-2-carbaldehyde
Also Known As: 5-(Phenylethynyl)thiophene-2-carbaldehyde, 5-(2-Phenyleth-1-Ynyl)Thiophene-2-Carbaldehyde, 5-(2-phenylethynyl)thiophene-2-carbaldehyde, H-SER(TBU)-OTBU, 5-(phenylethynyl)thiophene-2-carboxaldehyde
| Molecular Formula | C13H8OS |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 2.9604 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.02959 |
| Heavy Atoms | 15 |
| Complexity | 514.2141 |
Chemical Identifiers
| CAS Number | 17257-10-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=C(S2)C=O |
Product Overview
5-(Phenylethynyl)thiophene-2-carbaldehyde (CAS 17257-10-2), with molecular formula C13H8OS and molecular weight 212.03 g/mol. IUPAC: 5-(2-phenylethynyl)thiophene-2-carbaldehyde.
Chemical Property Profile of 5-(Phenylethynyl)thiophene-2-carbaldehyde
Property Insights of 5-(Phenylethynyl)thiophene-2-carbaldehyde
The XLogP value of 2.9604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Phenylethynyl)thiophene-2-carbaldehyde. With a topological polar surface area (TPSA) of 17.07 Ų, 5-(Phenylethynyl)thiophene-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Phenylethynyl)thiophene-2-carbaldehyde 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 5-(Phenylethynyl)thiophene-2-carbaldehyde?
The CAS number of 5-(Phenylethynyl)thiophene-2-carbaldehyde is 17257-10-2.
What is the molecular formula of 5-(Phenylethynyl)thiophene-2-carbaldehyde?
The molecular formula of 5-(Phenylethynyl)thiophene-2-carbaldehyde is C13H8OS.
What is the molecular weight of 5-(Phenylethynyl)thiophene-2-carbaldehyde?
The molecular weight of 5-(Phenylethynyl)thiophene-2-carbaldehyde is 212.03 g/mol.
Where can I buy 5-(Phenylethynyl)thiophene-2-carbaldehyde?
You can request a quote for 5-(Phenylethynyl)thiophene-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Phenylethynyl)thiophene-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-(Phenylethynyl)thiophene-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.