Cambridge id 5569005
TL;DR: Cambridge id 5569005 (CAS 139370-86-8) is a chemical compound with molecular formula C10H11BrN4O and molecular weight 282.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone bromide
Also Known As: 4-amino-1-phenacyl-1,2,4-triazolium bromide, 2-(4-amino-4H-1,2,4-triazol-1-ium-1-yl)-1-phenylethan-1-one bromide, 4-amino-1-(2-oxo-2-phenylethyl)-1,2,4-triazol-1-ium bromide, 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone bromide, 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone;bromide
| Molecular Formula | C10H11BrN4O |
|---|---|
| Molecular Weight | 282.01 g/mol |
| LogP | -3.2287 |
| Topological Polar Surface Area | 64.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.01163 |
| Heavy Atoms | 16 |
| Complexity | 468.6811 |
Chemical Identifiers
| CAS Number | 139370-86-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CN2C=[N+](C=N2)N.[Br-] |
Product Overview
Cambridge id 5569005 (CAS 139370-86-8), with molecular formula C10H11BrN4O and molecular weight 282.01 g/mol. IUPAC: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone bromide.
Chemical Property Profile of Cambridge id 5569005
Property Insights of Cambridge id 5569005
The XLogP value of -3.2287 indicates that Cambridge id 5569005 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5569005. Following Lipinski's Rule of Five, Cambridge id 5569005 has 1 hydrogen bond donor(s) and 3 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 Cambridge id 5569005?
The CAS number of Cambridge id 5569005 is 139370-86-8.
What is the molecular formula of Cambridge id 5569005?
The molecular formula of Cambridge id 5569005 is C10H11BrN4O.
What is the molecular weight of Cambridge id 5569005?
The molecular weight of Cambridge id 5569005 is 282.01 g/mol.
Where can I buy Cambridge id 5569005?
You can request a quote for Cambridge id 5569005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5569005?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5569005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.