![[2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate structure](/static/products/4386/438602-58-5.webp)
[2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate
TL;DR: [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate (CAS 438602-58-5) is a chemical compound with molecular formula C12H8BrN3O5S and molecular weight 384.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate
Also Known As: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate, (5-bromo-1,3-thiazol-2-yl)carbamoylmethyl 3-nitrobenzoate, 2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl 3-nitrobenzoate
| Molecular Formula | C12H8BrN3O5S |
|---|---|
| Molecular Weight | 384.94 g/mol |
| LogP | 2.6093 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.9368 |
| Heavy Atoms | 22 |
| Complexity | 733.05676 |
Chemical Identifiers
| CAS Number | 438602-58-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=NC=C(S2)Br |
Product Overview
[2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate (CAS 438602-58-5), with molecular formula C12H8BrN3O5S and molecular weight 384.94 g/mol. IUPAC: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate.
Chemical Property Profile of [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate
Property Insights of [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate
The XLogP value of 2.6093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate. Following Lipinski's Rule of Five, [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate 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 [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate?
The CAS number of [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate is 438602-58-5.
What is the molecular formula of [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate?
The molecular formula of [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate is C12H8BrN3O5S.
What is the molecular weight of [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate?
The molecular weight of [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate is 384.94 g/mol.
Where can I buy [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate?
You can request a quote for [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.