苯乙硝唑
TL;DR: 苯乙硝唑 (CAS 22994-85-0) is a chemical compound with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯乙硝唑
N-benzyl-2-(2-nitroimidazol-1-yl)acetamide
Also Known As: BENZNIDAZOLE, Benznidazol, Radanil, Benzonidazole, Rochagan
| Molecular Formula | C12H12N4O3 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.09094 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
| Melting Point | 190-192 |
| Solubility | >39 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 22994-85-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-] |
| InChIKey | CULUWZNBISUWAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯乙硝唑 (CAS 22994-85-0), with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol. IUPAC: N-benzyl-2-(2-nitroimidazol-1-yl)acetamide.
Chemical Property Profile of 苯乙硝唑
Property Insights of 苯乙硝唑
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯乙硝唑. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯乙硝唑. Following Lipinski's Rule of Five, 苯乙硝唑 has 1 hydrogen bond donor(s) and 4 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 苯乙硝唑?
The CAS number of 苯乙硝唑 is 22994-85-0.
What is the molecular formula of 苯乙硝唑?
The molecular formula of 苯乙硝唑 is C12H12N4O3.
What is the molecular weight of 苯乙硝唑?
The molecular weight of 苯乙硝唑 is 260.09 g/mol.
Where can I buy 苯乙硝唑?
You can request a quote for 苯乙硝唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙硝唑?
Yes, KEHONG BIO provides custom synthesis services for 苯乙硝唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.