(Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide
TL;DR: (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide (CAS 674816-39-8) is a chemical compound with molecular formula C21H18N4O5S and molecular weight 438.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-cyano-2-[3-(3-methoxyphenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide
Also Known As: (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide, (2Z)-2-cyano-2-[3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylethanamide, (2Z)-2-cyano-2-[3-(3-methoxyphenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide, 2-cyano-2-{3-(3-methoxyphenyl)-5-[(3-nitrophenyl)methyl]-4-oxo(1,3-thiazolidin -2-ylidene)}-N-methylacetamide
| Molecular Formula | C21H18N4O5S |
|---|---|
| Molecular Weight | 438.10 g/mol |
| LogP | 2.77568 |
| Topological Polar Surface Area | 125.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.0998 |
| Heavy Atoms | 31 |
| Complexity | 1124.7483 |
Chemical Identifiers
| CAS Number | 674816-39-8 |
|---|---|
| SMILES | CNC(=O)/C(=C\1/N(C(=O)C(S1)CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)OC)/C#N |
Product Overview
(Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide (CAS 674816-39-8), with molecular formula C21H18N4O5S and molecular weight 438.10 g/mol. IUPAC: (2Z)-2-cyano-2-[3-(3-methoxyphenyl)-5-[(3-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide.
Chemical Property Profile of (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide
Property Insights of (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide
The XLogP value of 2.77568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide. The TPSA of 125.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide. Following Lipinski's Rule of Five, (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide has 1 hydrogen bond donor(s) and 7 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 (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide?
The CAS number of (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide is 674816-39-8.
What is the molecular formula of (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide?
The molecular formula of (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide is C21H18N4O5S.
What is the molecular weight of (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide?
The molecular weight of (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide is 438.10 g/mol.
Where can I buy (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide?
You can request a quote for (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-cyano-2-(3-(3-methoxyphenyl)-5-(3-nitrobenzyl)-4-oxothiazolidin-2-ylidene)-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.