Halofuginone lactate
TL;DR: Halofuginone lactate (CAS 82186-71-8) is a chemical compound with molecular formula C19H23BrClN3O6 and molecular weight 503.05 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;2-hydroxypropanoic acid
Also Known As: Halofuginone lactate, Halocur, 7-Bromo-6-chloro-3-[3-[(3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;2-hydroxypropanoic acid, 7-bromo-6-chloro-3-[3-[(3R)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one; 2-hydroxypropanoic acid, 7-Bromo-6-chloro-3,3-(3-hydroxy-2-piperidyl)acetonyl-4(3H)-quinazolinone-hydrolactate
| Molecular Formula | C19H23BrClN3O6 |
|---|---|
| Molecular Weight | 503.05 g/mol |
| LogP | 1.34 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.04587 |
| Heavy Atoms | 30 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 82186-71-8 |
|---|---|
| SMILES | CC(C(=O)O)O.C1C[C@H](C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O |
| InChIKey | GATQERNJKZPJNX-NUNOUFIPSA-N |
Product Overview
Halofuginone lactate (CAS 82186-71-8), with molecular formula C19H23BrClN3O6 and molecular weight 503.05 g/mol. IUPAC: 7-bromo-6-chloro-3-[3-[(3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;2-hydroxypropanoic acid.
Chemical Property Profile of Halofuginone lactate
Property Insights of Halofuginone lactate
The XLogP value of 1.34 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Halofuginone lactate. The TPSA of 140.0 Ų indicates high polarity, suggesting Halofuginone lactate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Halofuginone lactate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Halofuginone lactate?
The CAS number of Halofuginone lactate is 82186-71-8.
What is the molecular formula of Halofuginone lactate?
The molecular formula of Halofuginone lactate is C19H23BrClN3O6.
What is the molecular weight of Halofuginone lactate?
The molecular weight of Halofuginone lactate is 503.05 g/mol.
Where can I buy Halofuginone lactate?
You can request a quote for Halofuginone lactate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halofuginone lactate?
Yes, KEHONG BIO provides custom synthesis services for Halofuginone lactate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.