N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide
TL;DR: N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide (CAS 848179-10-2) is a chemical compound with molecular formula C22H21NO3S2 and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide
Also Known As: 2-(1,3-Dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxo-N-(phenylmethyl)-4-pentenamide, N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide
| Molecular Formula | C22H21NO3S2 |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 4.2855 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.09628 |
| Heavy Atoms | 28 |
| Complexity | 881.7577 |
Chemical Identifiers
| CAS Number | 848179-10-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=CC(=O)C(=C2SCCS2)C(=O)NCC3=CC=CC=C3 |
Product Overview
N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide (CAS 848179-10-2), with molecular formula C22H21NO3S2 and molecular weight 411.10 g/mol. IUPAC: N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide.
Chemical Property Profile of N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide
Property Insights of N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide
The XLogP value of 4.2855 indicates that N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-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 N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide?
The CAS number of N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide is 848179-10-2.
What is the molecular formula of N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide?
The molecular formula of N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide is C22H21NO3S2.
What is the molecular weight of N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide?
The molecular weight of N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide is 411.10 g/mol.
Where can I buy N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide?
You can request a quote for N-benzyl-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 N-benzyl-2-(1,3-dithiolan-2-ylidene)-5-(4-methoxyphenyl)-3-oxopent-4-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-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.