非昔硝唑
TL;DR: 非昔硝唑 (CAS 59729-37-2) is a chemical compound with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
非昔硝唑
1-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitroimidazole
Also Known As: Fexinidazole, Fexinidazol, Fexinidazolum, fexinidazole[inn], Fexinidazole [INN]
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
| Boiling Point | 501 |
| Solubility | Practically insoluble |
Chemical Identifiers
| CAS Number | 59729-37-2 |
|---|---|
| SMILES | CN1C(=CN=C1COC2=CC=C(C=C2)SC)[N+](=O)[O-] |
| InChIKey | MIWWSGDADVMLTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
非昔硝唑 (CAS 59729-37-2), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: 1-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitroimidazole.
Chemical Property Profile of 非昔硝唑
Property Insights of 非昔硝唑
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 非昔硝唑. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 非昔硝唑. Following Lipinski's Rule of Five, 非昔硝唑 has 0 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 非昔硝唑?
The CAS number of 非昔硝唑 is 59729-37-2.
What is the molecular formula of 非昔硝唑?
The molecular formula of 非昔硝唑 is C12H13N3O3S.
What is the molecular weight of 非昔硝唑?
The molecular weight of 非昔硝唑 is 279.07 g/mol.
Where can I buy 非昔硝唑?
You can request a quote for 非昔硝唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 非昔硝唑?
Yes, KEHONG BIO provides custom synthesis services for 非昔硝唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.