3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride
TL;DR: 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride (CAS 29020-85-7) is a chemical compound with molecular formula C14H21Cl2N5O and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperazin-1-yl)-5-methyloxadiazol-3-ium-4-amine;chloride;hydrochloride
Also Known As: 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride, Sydnone imine, 3-(4-benzyl-1-piperazinyl)-4-methyl-, dihydrochloride, 4-amino-3-(4-benzylpiperazin-1-yl)-5-methyl-1,2,3-oxadiazol-3-ium chloride hydrochloride(1:1:1), 4-Amino-3-(4-benzylpiperazin-1-yl)-5-methyl-3H-1,2,3-oxadiazol-1-ium chloride--hydrogen chloride (1/1/1), 3-(4-benzylpiperazin-1-yl)-5-methyloxadiazol-3-ium-4-amine chloride hydrochloride
| Molecular Formula | C14H21Cl2N5O |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | -2.26768 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1123 |
| Heavy Atoms | 22 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 29020-85-7 |
|---|---|
| SMILES | CC1=C([N+](=NO1)N2CCN(CC2)CC3=CC=CC=C3)N.Cl.[Cl-] |
| InChIKey | VGIJORPIPURCDU-UHFFFAOYSA-M |
Product Overview
3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride (CAS 29020-85-7), with molecular formula C14H21Cl2N5O and molecular weight 345.11 g/mol. IUPAC: 3-(4-benzylpiperazin-1-yl)-5-methyloxadiazol-3-ium-4-amine;chloride;hydrochloride.
Chemical Property Profile of 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride
Property Insights of 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride
The XLogP value of -2.26768 indicates that 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride. Following Lipinski's Rule of Five, 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride has 2 hydrogen bond donor(s) and 6 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 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride?
The CAS number of 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride is 29020-85-7.
What is the molecular formula of 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride?
The molecular formula of 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride is C14H21Cl2N5O.
What is the molecular weight of 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride?
The molecular weight of 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride is 345.11 g/mol.
Where can I buy 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride?
You can request a quote for 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.