![3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one structure](/static/products/683/683258-92-6.png)
3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one
TL;DR: 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one (CAS 683258-92-6) is a chemical compound with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-8-nitrochromen-2-one
Also Known As: 3-(4-(4-isobutylphenyl)thiazol-2-yl)-8-nitro-2H-chromen-2-one, 3-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-8-nitrochromen-2-one, 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one
| Molecular Formula | C22H18N2O4S |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 5.6902 |
| Topological Polar Surface Area | 86.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.09872 |
| Heavy Atoms | 29 |
| Complexity | 1256.039 |
Chemical Identifiers
| CAS Number | 683258-92-6 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=C(C(=CC=C4)[N+](=O)[O-])OC3=O |
Product Overview
3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one (CAS 683258-92-6), with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol. IUPAC: 3-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-8-nitrochromen-2-one.
Chemical Property Profile of 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one
Property Insights of 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one
The XLogP value of 5.6902 indicates that 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one?
The CAS number of 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one is 683258-92-6.
What is the molecular formula of 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one?
The molecular formula of 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one is C22H18N2O4S.
What is the molecular weight of 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one?
The molecular weight of 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one is 406.10 g/mol.
Where can I buy 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one?
You can request a quote for 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}-8-nitro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.