AB01327780-02
TL;DR: AB01327780-02 (CAS 698980-30-2) is a chemical compound with molecular formula C17H16FN3O4 and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-2-(3-nitrophenyl)-1-oxido-4H-imidazol-1-ium
Also Known As: AB01327780-02, 4-(4-fluorophenyl)-2,5-dimethyl-2-(3-nitrophenyl)-2,5-dihydro-1H-imidazol-1-ol 3-oxide, 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-2-(3-nitrophenyl)-1-oxido-4H-imidazol-1-ium, 4-(4-fluorophenyl)-1-hydroxy-2,5-dimethyl-2-(3-nitrophenyl)-2,5-dihydro-1H-imidazol-3-ium-3-olate, 4-(4-fluorophenyl)-1-hydroxy-2,5-dimethyl-2-(3-nitrophenyl)-2,5-dihydro-1H-imidazole 3-oxide
| Molecular Formula | C17H16FN3O4 |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.9995 |
| Topological Polar Surface Area | 92.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1125 |
| Heavy Atoms | 25 |
| Complexity | 868.4516 |
Chemical Identifiers
| CAS Number | 698980-30-2 |
|---|---|
| SMILES | CC1C(=[N+](C(N1O)(C)C2=CC(=CC=C2)[N+](=O)[O-])[O-])C3=CC=C(C=C3)F |
Product Overview
AB01327780-02 (CAS 698980-30-2), with molecular formula C17H16FN3O4 and molecular weight 345.11 g/mol. IUPAC: 5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-2-(3-nitrophenyl)-1-oxido-4H-imidazol-1-ium.
Chemical Property Profile of AB01327780-02
Property Insights of AB01327780-02
The XLogP value of 2.9995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01327780-02. The TPSA of 92.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01327780-02. Following Lipinski's Rule of Five, AB01327780-02 has 1 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 AB01327780-02?
The CAS number of AB01327780-02 is 698980-30-2.
What is the molecular formula of AB01327780-02?
The molecular formula of AB01327780-02 is C17H16FN3O4.
What is the molecular weight of AB01327780-02?
The molecular weight of AB01327780-02 is 345.11 g/mol.
Where can I buy AB01327780-02?
You can request a quote for AB01327780-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01327780-02?
Yes, KEHONG BIO provides custom synthesis services for AB01327780-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.