塞克硝唑
TL;DR: 塞克硝唑 (CAS 3366-95-8) is a chemical compound with molecular formula C7H11N3O3 and molecular weight 185.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
塞克硝唑
1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Also Known As: Secnidazole, Secnidazol, Flagentyl, Secnidazolum, Solosec
| Molecular Formula | C7H11N3O3 |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.08005 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
| Solubility | >27.8 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 3366-95-8 |
|---|---|
| SMILES | CC1=NC=C(N1CC(C)O)[N+](=O)[O-] |
| InChIKey | KPQZUUQMTUIKBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
塞克硝唑 (CAS 3366-95-8), with molecular formula C7H11N3O3 and molecular weight 185.08 g/mol. IUPAC: 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol.
Chemical Property Profile of 塞克硝唑
Property Insights of 塞克硝唑
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 塞克硝唑. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 塞克硝唑. Following Lipinski's Rule of Five, 塞克硝唑 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 塞克硝唑?
The CAS number of 塞克硝唑 is 3366-95-8.
What is the molecular formula of 塞克硝唑?
The molecular formula of 塞克硝唑 is C7H11N3O3.
What is the molecular weight of 塞克硝唑?
The molecular weight of 塞克硝唑 is 185.08 g/mol.
Where can I buy 塞克硝唑?
You can request a quote for 塞克硝唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 塞克硝唑?
Yes, KEHONG BIO provides custom synthesis services for 塞克硝唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.