A0170/0007666
TL;DR: A0170/0007666 (CAS 5790-02-3) is a chemical compound with molecular formula C20H12FN5O5 and molecular weight 421.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]iminomethyl]-4,6-dinitrophenol
Also Known As: A0170/0007666, 2-[(E)-{[2-(4-FLUOROPHENYL)-1H-1,3-BENZODIAZOL-5-YL]IMINO}METHYL]-4,6-DINITROPHENOL, 6-({[2-(4-Fluorophenyl)-1H-benzimidazol-6-yl]amino}methylidene)-2,4-dinitrocyclohexa-2,4-dien-1-one, (6E)-6-[[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]amino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one, 6-({[2-(4-Fluorophenyl)-1H-1,3-benzimidazol-6-yl]amino}methylidene)-2,4-dinitrocyclohexa-2,4-dien-1-one
| Molecular Formula | C20H12FN5O5 |
|---|---|
| Molecular Weight | 421.08 g/mol |
| LogP | 4.6416 |
| Topological Polar Surface Area | 147.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.08224 |
| Heavy Atoms | 31 |
| Complexity | 1364.6509 |
Chemical Identifiers
| CAS Number | 5790-02-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N=CC4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])O)F |
Product Overview
A0170/0007666 (CAS 5790-02-3), with molecular formula C20H12FN5O5 and molecular weight 421.08 g/mol. IUPAC: 2-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]iminomethyl]-4,6-dinitrophenol.
Chemical Property Profile of A0170/0007666
Property Insights of A0170/0007666
The XLogP value of 4.6416 indicates that A0170/0007666 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.55 Ų indicates high polarity, suggesting A0170/0007666 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A0170/0007666 has 2 hydrogen bond donor(s) and 7 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 A0170/0007666?
The CAS number of A0170/0007666 is 5790-02-3.
What is the molecular formula of A0170/0007666?
The molecular formula of A0170/0007666 is C20H12FN5O5.
What is the molecular weight of A0170/0007666?
The molecular weight of A0170/0007666 is 421.08 g/mol.
Where can I buy A0170/0007666?
You can request a quote for A0170/0007666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0170/0007666?
Yes, KEHONG BIO provides custom synthesis services for A0170/0007666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.