![2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid structure](/static/products/259/259546-74-2.png)
2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid
TL;DR: 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid (CAS 259546-74-2) is a chemical compound with molecular formula C15H14O3S2 and molecular weight 306.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methylphenyl)-3-oxopent-4-enoic acid
Also Known As: 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid, 2-(1,3-dithiolan-2-ylidene)-5-(4-methylphenyl)-3-oxo-pent-4-enoic Acid, (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methylphenyl)-3-oxopent-4-enoic acid
| Molecular Formula | C15H14O3S2 |
|---|---|
| Molecular Weight | 306.04 g/mol |
| LogP | 3.35352 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.03842 |
| Heavy Atoms | 20 |
| Complexity | 577.6411 |
Chemical Identifiers
| CAS Number | 259546-74-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/C(=O)C(=C2SCCS2)C(=O)O |
Product Overview
2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid (CAS 259546-74-2), with molecular formula C15H14O3S2 and molecular weight 306.04 g/mol. IUPAC: (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methylphenyl)-3-oxopent-4-enoic acid.
Chemical Property Profile of 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid
Property Insights of 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid
The XLogP value of 3.35352 indicates that 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid has 1 hydrogen bond donor(s) and 4 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 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid?
The CAS number of 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid is 259546-74-2.
What is the molecular formula of 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid?
The molecular formula of 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid is C15H14O3S2.
What is the molecular weight of 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid?
The molecular weight of 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid is 306.04 g/mol.
Where can I buy 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid?
You can request a quote for 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[1,3]Dithiolan-2-ylidene-3-oxo-5-p-tolyl-pent-4-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.