Haloperidol 4-azidobenzoate
TL;DR: Haloperidol 4-azidobenzoate (CAS 117345-85-4) is a chemical compound with molecular formula C28H26ClFN4O3 and molecular weight 520.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] 4-azidobenzoate
Also Known As: Azido-haloperidol, Haloperidol 4-azidobenzoate, Haloperidol4-azidobenzoate, Brain Natriuretic Peptide-32 Porcine, [4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] 4-azidobenzoate
| Molecular Formula | C28H26ClFN4O3 |
|---|---|
| Molecular Weight | 520.17 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 520.1677 |
| Heavy Atoms | 37 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 117345-85-4 |
|---|---|
| SMILES | C1CN(CCC1(C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)N=[N+]=[N-])CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | ZMHKRNQMMRWKIP-UHFFFAOYSA-N |
Product Overview
Haloperidol 4-azidobenzoate (CAS 117345-85-4), with molecular formula C28H26ClFN4O3 and molecular weight 520.17 g/mol. IUPAC: [4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] 4-azidobenzoate.
Chemical Property Profile of Haloperidol 4-azidobenzoate
Property Insights of Haloperidol 4-azidobenzoate
The XLogP value of 6.4 indicates that Haloperidol 4-azidobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Haloperidol 4-azidobenzoate. Following Lipinski's Rule of Five, Haloperidol 4-azidobenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Haloperidol 4-azidobenzoate?
The CAS number of Haloperidol 4-azidobenzoate is 117345-85-4.
What is the molecular formula of Haloperidol 4-azidobenzoate?
The molecular formula of Haloperidol 4-azidobenzoate is C28H26ClFN4O3.
What is the molecular weight of Haloperidol 4-azidobenzoate?
The molecular weight of Haloperidol 4-azidobenzoate is 520.17 g/mol.
Where can I buy Haloperidol 4-azidobenzoate?
You can request a quote for Haloperidol 4-azidobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Haloperidol 4-azidobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Haloperidol 4-azidobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.