N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide
TL;DR: N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide (CAS 302550-48-7) is a chemical compound with molecular formula C23H17N3O3S2 and molecular weight 447.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5E)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
Also Known As: (E)-N-(5-(3-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)nicotinamide, N-(5-(3-(BENZYLOXY)BENZYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)NICOTINAMIDE, N-[(5E)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
| Molecular Formula | C23H17N3O3S2 |
|---|---|
| Molecular Weight | 447.07 g/mol |
| LogP | 4.2068 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.07114 |
| Heavy Atoms | 31 |
| Complexity | 1150.9979 |
Chemical Identifiers
| CAS Number | 302550-48-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C/3\C(=O)N(C(=S)S3)NC(=O)C4=CN=CC=C4 |
Product Overview
N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide (CAS 302550-48-7), with molecular formula C23H17N3O3S2 and molecular weight 447.07 g/mol. IUPAC: N-[(5E)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide.
Chemical Property Profile of N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide
Property Insights of N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide
The XLogP value of 4.2068 indicates that N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide. Following Lipinski's Rule of Five, N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide has 1 hydrogen bond donor(s) and 6 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-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide?
The CAS number of N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide is 302550-48-7.
What is the molecular formula of N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide?
The molecular formula of N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide is C23H17N3O3S2.
What is the molecular weight of N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide?
The molecular weight of N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide is 447.07 g/mol.
Where can I buy N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide?
You can request a quote for N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(3-(Benzyloxy)benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.