Halofuginone
TL;DR: Halofuginone (CAS 55837-20-2) 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-[(3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
Also Known As: Halofuginone, Halofuginonum, Halofuginona, Tempostatin, Halofuginone [INN:BAN]
| 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 | 55837-20-2 |
|---|---|
| SMILES | C1C[C@H](C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O |
| InChIKey | LVASCWIMLIKXLA-YSSOQSIOSA-N |
Product Overview
Halofuginone (CAS 55837-20-2), with molecular formula C16H17BrClN3O3 and molecular weight 413.01 g/mol. IUPAC: 7-bromo-6-chloro-3-[3-[(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 55837-20-2.
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.