![6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one structure](/static/products/5308/5308-53-2.webp)
6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one
TL;DR: 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one (CAS 5308-53-2) is a chemical compound with molecular formula C20H13BrN2O5S and molecular weight 471.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitrochromen-2-one
Also Known As: 6-bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-chromen-2-one, 6-bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitrochromen-2-one, 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one
| Molecular Formula | C20H13BrN2O5S |
|---|---|
| Molecular Weight | 471.97 g/mol |
| LogP | 5.6529 |
| Topological Polar Surface Area | 95.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.97287 |
| Heavy Atoms | 29 |
| Complexity | 1280.5165 |
Chemical Identifiers
| CAS Number | 5308-53-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=CC(=CC(=C4OC3=O)[N+](=O)[O-])Br |
Product Overview
6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one (CAS 5308-53-2), with molecular formula C20H13BrN2O5S and molecular weight 471.97 g/mol. IUPAC: 6-bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitrochromen-2-one.
Chemical Property Profile of 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one
Property Insights of 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one
The XLogP value of 5.6529 indicates that 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one. Following Lipinski's Rule of Five, 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one?
The CAS number of 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one is 5308-53-2.
What is the molecular formula of 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one?
The molecular formula of 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one is C20H13BrN2O5S.
What is the molecular weight of 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one?
The molecular weight of 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one is 471.97 g/mol.
Where can I buy 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one?
You can request a quote for 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-8-nitro-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.