(E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide
TL;DR: (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide (CAS 1164486-06-9) is a chemical compound with molecular formula C15H15NO3S2 and molecular weight 321.05 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-methoxyphenyl)-3-oxopent-4-enamide
Also Known As: AB00544644-02, (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide, (4E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide
| Molecular Formula | C15H15NO3S2 |
|---|---|
| Molecular Weight | 321.05 g/mol |
| LogP | 2.4544 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.04935 |
| Heavy Atoms | 21 |
| Complexity | 597.8497 |
Chemical Identifiers
| CAS Number | 1164486-06-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)C(=C2SCCS2)C(=O)N |
Product Overview
(E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide (CAS 1164486-06-9), with molecular formula C15H15NO3S2 and molecular weight 321.05 g/mol. IUPAC: (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide.
Chemical Property Profile of (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide
Property Insights of (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide
The XLogP value of 2.4544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide. Following Lipinski's Rule of Five, (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide has 1 hydrogen bond donor(s) and 5 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 (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide?
The CAS number of (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide is 1164486-06-9.
What is the molecular formula of (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide?
The molecular formula of (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide is C15H15NO3S2.
What is the molecular weight of (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide?
The molecular weight of (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide is 321.05 g/mol.
Where can I buy (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide?
You can request a quote for (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.