(4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide
TL;DR: (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide (CAS 796084-70-3) is a chemical compound with molecular formula C14H13NO2S2 and molecular weight 291.04 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)-3-oxo-5-phenylpent-4-enamide
Also Known As: (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide, (E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide
| Molecular Formula | C14H13NO2S2 |
|---|---|
| Molecular Weight | 291.04 g/mol |
| LogP | 2.4458 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.03876 |
| Heavy Atoms | 19 |
| Complexity | 541.8242 |
Chemical Identifiers
| CAS Number | 796084-70-3 |
|---|---|
| SMILES | C1CSC(=C(C(=O)/C=C/C2=CC=CC=C2)C(=O)N)S1 |
Product Overview
(4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide (CAS 796084-70-3), with molecular formula C14H13NO2S2 and molecular weight 291.04 g/mol. IUPAC: (E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide.
Chemical Property Profile of (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide
Property Insights of (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide
The XLogP value of 2.4458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide. Following Lipinski's Rule of Five, (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide 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 (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide?
The CAS number of (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide is 796084-70-3.
What is the molecular formula of (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide?
The molecular formula of (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide is C14H13NO2S2.
What is the molecular weight of (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide?
The molecular weight of (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide is 291.04 g/mol.
Where can I buy (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide?
You can request a quote for (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-dithiolan-2-ylidene)-3-oxo-5-phenylpent-4-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.