C19H21N5O.2ClH.3/2H2O
TL;DR: C19H21N5O.2ClH.3/2H2O (CAS 2902-56-9) is a chemical compound with molecular formula C19H23Cl2N5O and molecular weight 407.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzyl-2-phenylpiperazin-1-yl)oxadiazol-3-ium-4-amine;chloride;hydrochloride
Also Known As: C19H21N5O.2ClH.3/2H2O, C19-H21-N5-O.2Cl-H.3/2H2-O, 3-(4-Benzyl-3-phenyl-1-piperazinyl)sydnone imine dihydrochloride hydrate, Sydnone imine, 3-(4-benzyl-3-phenyl-1-piperazinyl)-, hydrochloride, hydrate (2:4:3), 4-amino-3-(4-benzyl-2-phenylpiperazin-1-yl)-1,2,3-oxadiazol-3-ium chloride hydrochloride(1:1:1)
| Molecular Formula | C19H23Cl2N5O |
|---|---|
| Molecular Weight | 407.13 g/mol |
| LogP | -0.8348 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.12796 |
| Heavy Atoms | 27 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 2902-56-9 |
|---|---|
| SMILES | C1CN(C(CN1CC2=CC=CC=C2)C3=CC=CC=C3)[N+]4=NOC=C4N.Cl.[Cl-] |
| InChIKey | FQBUFTNJUDGKEC-UHFFFAOYSA-M |
Product Overview
C19H21N5O.2ClH.3/2H2O (CAS 2902-56-9), with molecular formula C19H23Cl2N5O and molecular weight 407.13 g/mol. IUPAC: 3-(4-benzyl-2-phenylpiperazin-1-yl)oxadiazol-3-ium-4-amine;chloride;hydrochloride.
Chemical Property Profile of C19H21N5O.2ClH.3/2H2O
Property Insights of C19H21N5O.2ClH.3/2H2O
The XLogP value of -0.8348 indicates that C19H21N5O.2ClH.3/2H2O 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 C19H21N5O.2ClH.3/2H2O. Following Lipinski's Rule of Five, C19H21N5O.2ClH.3/2H2O 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 C19H21N5O.2ClH.3/2H2O?
The CAS number of C19H21N5O.2ClH.3/2H2O is 2902-56-9.
What is the molecular formula of C19H21N5O.2ClH.3/2H2O?
The molecular formula of C19H21N5O.2ClH.3/2H2O is C19H23Cl2N5O.
What is the molecular weight of C19H21N5O.2ClH.3/2H2O?
The molecular weight of C19H21N5O.2ClH.3/2H2O is 407.13 g/mol.
Where can I buy C19H21N5O.2ClH.3/2H2O?
You can request a quote for C19H21N5O.2ClH.3/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H21N5O.2ClH.3/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C19H21N5O.2ClH.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.