3-Valerylthiophene
TL;DR: 3-Valerylthiophene (CAS 90534-16-0) is a chemical compound with molecular formula C9H12OS and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-3-ylpentan-1-one
Also Known As: 3-valerylthiophene, 3-Thienylbutyl ketone, 1-thiophen-3-ylpentan-1-one, 1-(3-Thienyl)-1-pentanone, 1-(thiophen-3-yl)pentan-1-one
| Molecular Formula | C9H12OS |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 3.121 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.06088 |
| Heavy Atoms | 11 |
| Complexity | 213.47643 |
Chemical Identifiers
| CAS Number | 90534-16-0 |
|---|---|
| SMILES | CCCCC(=O)C1=CSC=C1 |
Product Overview
3-Valerylthiophene (CAS 90534-16-0), with molecular formula C9H12OS and molecular weight 168.06 g/mol. IUPAC: 1-thiophen-3-ylpentan-1-one.
Chemical Property Profile of 3-Valerylthiophene
Property Insights of 3-Valerylthiophene
The XLogP value of 3.121 indicates that 3-Valerylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Valerylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Valerylthiophene 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 3-Valerylthiophene?
The CAS number of 3-Valerylthiophene is 90534-16-0.
What is the molecular formula of 3-Valerylthiophene?
The molecular formula of 3-Valerylthiophene is C9H12OS.
What is the molecular weight of 3-Valerylthiophene?
The molecular weight of 3-Valerylthiophene is 168.06 g/mol.
Where can I buy 3-Valerylthiophene?
You can request a quote for 3-Valerylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Valerylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Valerylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.