beta-Methyl-delta-oxo-2-thiophenepentanoic acid
TL;DR: beta-Methyl-delta-oxo-2-thiophenepentanoic acid (CAS 845781-53-5) is a chemical compound with molecular formula C10H12O3S and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-oxo-5-thiophen-2-ylpentanoic acid
Also Known As: 3-Methyl-5-oxo-5-(2-thienyl)valeric acid, 3-methyl-4-(2-thenoyl)butyric acid, 3-Methyl-5-oxo-5-(thiophen-2-yl)pentanoic acid, 3-methyl-5-oxo-5-thiophen-2-ylpentanoic acid, 3-methyl-5-oxo-5-thiophen-2-yl-pentanoic Acid
| Molecular Formula | C10H12O3S |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 2.4317 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.05072 |
| Heavy Atoms | 14 |
| Complexity | 316.11792 |
Chemical Identifiers
| CAS Number | 845781-53-5 |
|---|---|
| SMILES | CC(CC(=O)C1=CC=CS1)CC(=O)O |
Product Overview
beta-Methyl-delta-oxo-2-thiophenepentanoic acid (CAS 845781-53-5), with molecular formula C10H12O3S and molecular weight 212.05 g/mol. IUPAC: 3-methyl-5-oxo-5-thiophen-2-ylpentanoic acid.
Chemical Property Profile of beta-Methyl-delta-oxo-2-thiophenepentanoic acid
Property Insights of beta-Methyl-delta-oxo-2-thiophenepentanoic acid
The XLogP value of 2.4317 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Methyl-delta-oxo-2-thiophenepentanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, beta-Methyl-delta-oxo-2-thiophenepentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Methyl-delta-oxo-2-thiophenepentanoic acid has 1 hydrogen bond donor(s) and 3 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 beta-Methyl-delta-oxo-2-thiophenepentanoic acid?
The CAS number of beta-Methyl-delta-oxo-2-thiophenepentanoic acid is 845781-53-5.
What is the molecular formula of beta-Methyl-delta-oxo-2-thiophenepentanoic acid?
The molecular formula of beta-Methyl-delta-oxo-2-thiophenepentanoic acid is C10H12O3S.
What is the molecular weight of beta-Methyl-delta-oxo-2-thiophenepentanoic acid?
The molecular weight of beta-Methyl-delta-oxo-2-thiophenepentanoic acid is 212.05 g/mol.
Where can I buy beta-Methyl-delta-oxo-2-thiophenepentanoic acid?
You can request a quote for beta-Methyl-delta-oxo-2-thiophenepentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Methyl-delta-oxo-2-thiophenepentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-Methyl-delta-oxo-2-thiophenepentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.