Zirconium(II) butylate
TL;DR: Zirconium(II) butylate (CAS 67642-21-1) is a chemical compound with molecular formula C15H24ClN3O5 and molecular weight 361.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylpiperidin-1-yl)-3-[(5-nitrofuran-2-yl)methylideneamino]oxypropan-2-ol;hydrochloride
Also Known As: Zirconium(II) butylate, 2-Furancarboxaldehyde, 5-nitro-, O-[3-(2,6-dimethyl-1-piperidinyl)-2-hydroxypropyl]oxime, monohydrochloride, 5-nitro-2-furaldehyde O-[3-(2,6-dimethylpiperidino)-2-hydroxypropyl]oxime monohydrochloride, 1-(2,6-Dimethylpiperidin-1-yl)-3-({[(5-nitrofuran-2-yl)methylidene]amino}oxy)propan-2-ol--hydrogen chloride (1/1), 2-Furancarboxaldehyde, 5-nitro-, O-(3-(2,6-dimethyl-1-piperidinyl)-2-hydroxypropyl)oxime, hydrochloride (1:1)
| Molecular Formula | C15H24ClN3O5 |
|---|---|
| Molecular Weight | 361.14 g/mol |
| LogP | 2.58 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.14044 |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 67642-21-1 |
|---|---|
| SMILES | CC1CCCC(N1CC(CON=CC2=CC=C(O2)[N+](=O)[O-])O)C.Cl |
| InChIKey | OTONTHYBDVUFTM-UHFFFAOYSA-N |
Product Overview
Zirconium(II) butylate (CAS 67642-21-1), with molecular formula C15H24ClN3O5 and molecular weight 361.14 g/mol. IUPAC: 1-(2,6-dimethylpiperidin-1-yl)-3-[(5-nitrofuran-2-yl)methylideneamino]oxypropan-2-ol;hydrochloride.
Chemical Property Profile of Zirconium(II) butylate
Property Insights of Zirconium(II) butylate
The XLogP value of 2.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zirconium(II) butylate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Zirconium(II) butylate. Following Lipinski's Rule of Five, Zirconium(II) butylate 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 Zirconium(II) butylate?
The CAS number of Zirconium(II) butylate is 67642-21-1.
What is the molecular formula of Zirconium(II) butylate?
The molecular formula of Zirconium(II) butylate is C15H24ClN3O5.
What is the molecular weight of Zirconium(II) butylate?
The molecular weight of Zirconium(II) butylate is 361.14 g/mol.
Where can I buy Zirconium(II) butylate?
You can request a quote for Zirconium(II) butylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zirconium(II) butylate?
Yes, KEHONG BIO provides custom synthesis services for Zirconium(II) butylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.