Thiazol-4(5H)-one, 2-(4-nitrobenzyl)-
TL;DR: Thiazol-4(5H)-one, 2-(4-nitrobenzyl)- (CAS 332104-05-9) is a chemical compound with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methyl]-1,3-thiazol-4-one
Also Known As: 2-(4-Nitro-benzyl)-thiazol-4-one, BAS 01123046, 2-(4-nitrobenzyl)thiazol-4(5H)-one, 2-[(4-nitrophenyl)methyl]-1,3-thiazol-4-one, Thiazol-4(5H)-one, 2-(4-nitrobenzyl)-
| Molecular Formula | C10H8N2O3S |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.02556 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 332104-05-9 |
|---|---|
| SMILES | C1C(=O)N=C(S1)CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | JYGGTWXOXAXCQI-UHFFFAOYSA-N |
Product Overview
Thiazol-4(5H)-one, 2-(4-nitrobenzyl)- (CAS 332104-05-9), with molecular formula C10H8N2O3S and molecular weight 236.03 g/mol. IUPAC: 2-[(4-nitrophenyl)methyl]-1,3-thiazol-4-one.
Chemical Property Profile of Thiazol-4(5H)-one, 2-(4-nitrobenzyl)-
Property Insights of Thiazol-4(5H)-one, 2-(4-nitrobenzyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiazol-4(5H)-one, 2-(4-nitrobenzyl)-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiazol-4(5H)-one, 2-(4-nitrobenzyl)-. Following Lipinski's Rule of Five, Thiazol-4(5H)-one, 2-(4-nitrobenzyl)- has 0 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 Thiazol-4(5H)-one, 2-(4-nitrobenzyl)-?
The CAS number of Thiazol-4(5H)-one, 2-(4-nitrobenzyl)- is 332104-05-9.
What is the molecular formula of Thiazol-4(5H)-one, 2-(4-nitrobenzyl)-?
The molecular formula of Thiazol-4(5H)-one, 2-(4-nitrobenzyl)- is C10H8N2O3S.
What is the molecular weight of Thiazol-4(5H)-one, 2-(4-nitrobenzyl)-?
The molecular weight of Thiazol-4(5H)-one, 2-(4-nitrobenzyl)- is 236.03 g/mol.
Where can I buy Thiazol-4(5H)-one, 2-(4-nitrobenzyl)-?
You can request a quote for Thiazol-4(5H)-one, 2-(4-nitrobenzyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiazol-4(5H)-one, 2-(4-nitrobenzyl)-?
Yes, KEHONG BIO provides custom synthesis services for Thiazol-4(5H)-one, 2-(4-nitrobenzyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.