Halofuginone, (-)-
TL;DR: Halofuginone, (-)- (CAS 65405-67-6) is a chemical compound with molecular formula C16H17BrClN3O3 and molecular weight 413.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
Also Known As: Halofuginone, Stenorol, (-)-Halofuginone, empostatin, Halofuginonum
| Molecular Formula | C16H17BrClN3O3 |
|---|---|
| Molecular Weight | 413.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.0142 |
| Heavy Atoms | 24 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 65405-67-6 |
|---|---|
| SMILES | C1C[C@H]([C@@H](NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O |
| InChIKey | LVASCWIMLIKXLA-LSDHHAIUSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Halofuginone, (-)- (CAS 65405-67-6), with molecular formula C16H17BrClN3O3 and molecular weight 413.01 g/mol. IUPAC: 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one.
Chemical Property Profile of Halofuginone, (-)-
Property Insights of Halofuginone, (-)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Halofuginone, (-)-. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Halofuginone, (-)-. Following Lipinski's Rule of Five, Halofuginone, (-)- has 2 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 Halofuginone, (-)-?
The CAS number of Halofuginone, (-)- is 65405-67-6.
What is the molecular formula of Halofuginone, (-)-?
The molecular formula of Halofuginone, (-)- is C16H17BrClN3O3.
What is the molecular weight of Halofuginone, (-)-?
The molecular weight of Halofuginone, (-)- is 413.01 g/mol.
Where can I buy Halofuginone, (-)-?
You can request a quote for Halofuginone, (-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halofuginone, (-)-?
Yes, KEHONG BIO provides custom synthesis services for Halofuginone, (-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.