Cambridge id 5563326
TL;DR: Cambridge id 5563326 (CAS 126961-65-7) is a chemical compound with molecular formula C10H10BrClN4O and molecular weight 315.97 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-(4-chlorophenyl)ethanone bromide
Also Known As: 4-amino-1-[2-(4-chlorophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium bromide, 2-(4-amino(1,2,4-triazolyl))-1-(4-chlorophenyl)ethan-1-one, bromide, 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide, 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(4-chlorophenyl)ethanone;bromide, 2-(4-amino-1,2-diaza-4-azoniacyclopenta-2,4-dien-1-yl)-1-(4-chlorophenyl)ethanone Bromide
| Molecular Formula | C10H10BrClN4O |
|---|---|
| Molecular Weight | 315.97 g/mol |
| LogP | -2.5753 |
| Topological Polar Surface Area | 64.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.97266 |
| Heavy Atoms | 17 |
| Complexity | 511.2794 |
Chemical Identifiers
| CAS Number | 126961-65-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CN2C=[N+](C=N2)N)Cl.[Br-] |
Product Overview
Cambridge id 5563326 (CAS 126961-65-7), with molecular formula C10H10BrClN4O and molecular weight 315.97 g/mol. IUPAC: 2-(4-amino-1,2,4-triazol-4-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide.
Chemical Property Profile of Cambridge id 5563326
Property Insights of Cambridge id 5563326
The XLogP value of -2.5753 indicates that Cambridge id 5563326 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 5563326. Following Lipinski's Rule of Five, Cambridge id 5563326 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 5563326?
The CAS number of Cambridge id 5563326 is 126961-65-7.
What is the molecular formula of Cambridge id 5563326?
The molecular formula of Cambridge id 5563326 is C10H10BrClN4O.
What is the molecular weight of Cambridge id 5563326?
The molecular weight of Cambridge id 5563326 is 315.97 g/mol.
Where can I buy Cambridge id 5563326?
You can request a quote for Cambridge id 5563326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5563326?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5563326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.