ChemDiv2_001768
TL;DR: ChemDiv2_001768 (CAS 501112-06-7) is a chemical compound with molecular formula C12H9BrN4O2S and molecular weight 351.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide
Also Known As: ChemDiv2_001768, CBKinase1_002336, CBKinase1_014736, N-(4-bromophenyl)-2-(6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide, N-(4-Bromophenyl)-2-(6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide
| Molecular Formula | C12H9BrN4O2S |
|---|---|
| Molecular Weight | 351.96 g/mol |
| LogP | 2.1839 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.96295 |
| Heavy Atoms | 20 |
| Complexity | 670.35175 |
Chemical Identifiers
| CAS Number | 501112-06-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CC2C(=O)N3C(=NC=N3)S2)Br |
Product Overview
ChemDiv2_001768 (CAS 501112-06-7), with molecular formula C12H9BrN4O2S and molecular weight 351.96 g/mol. IUPAC: N-(4-bromophenyl)-2-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)acetamide.
Chemical Property Profile of ChemDiv2_001768
Property Insights of ChemDiv2_001768
The XLogP value of 2.1839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_001768. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001768. Following Lipinski's Rule of Five, ChemDiv2_001768 has 1 hydrogen bond donor(s) and 5 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 ChemDiv2_001768?
The CAS number of ChemDiv2_001768 is 501112-06-7.
What is the molecular formula of ChemDiv2_001768?
The molecular formula of ChemDiv2_001768 is C12H9BrN4O2S.
What is the molecular weight of ChemDiv2_001768?
The molecular weight of ChemDiv2_001768 is 351.96 g/mol.
Where can I buy ChemDiv2_001768?
You can request a quote for ChemDiv2_001768 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001768?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001768 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.