RefChem:372772
TL;DR: RefChem:372772 (CAS 63867-59-4) is a chemical compound with molecular formula C50H68Cl2N8O3 and molecular weight 898.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-phenyl-4-[5-(4-phenylpiperazin-1-ium-1-ylidene)penta-1,3-dienyl]piperazine);dichloride;trihydrate
Also Known As: 4-Phenyl-1-(5-(4-phenylpiperazino)-2,4-pentadienylidene)piperazinium chloride sesquihydrate, Piperazinium, 4-phenyl-1-(5-(4-phenylpiperazino)-2,4-pentadienylidene)-, chloride, sesquihydrate, 1-phenyl-4-[5-(4-phenylpiperazin-1-ium-1-ylidene)penta-1,3-dienyl]piperazine dichloride trihydrate, 4-Phenyl-1-[5-(4-phenylpiperazin-1-yl)penta-2,4-dien-1-ylidene]piperazin-1-ium chloride--water (2/2/3), RefChem:372772
| Molecular Formula | C50H68Cl2N8O3 |
|---|---|
| Molecular Weight | 898.48 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 898.4791 |
| Heavy Atoms | 63 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 63867-59-4 |
|---|---|
| SMILES | C1CN(CCN1C=CC=CC=[N+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4.C1CN(CCN1C=CC=CC=[N+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4.O.O.O.[Cl-].[Cl-] |
| InChIKey | OLGQEKQLWIIWDX-UHFFFAOYSA-L |
Product Overview
RefChem:372772 (CAS 63867-59-4), with molecular formula C50H68Cl2N8O3 and molecular weight 898.48 g/mol. IUPAC: bis(1-phenyl-4-[5-(4-phenylpiperazin-1-ium-1-ylidene)penta-1,3-dienyl]piperazine);dichloride;trihydrate.
Chemical Property Profile of RefChem:372772
Property Insights of RefChem:372772
The XLogP value of -1.5 indicates that RefChem:372772 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 28.5 Ų, RefChem:372772 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:372772 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:372772?
The CAS number of RefChem:372772 is 63867-59-4.
What is the molecular formula of RefChem:372772?
The molecular formula of RefChem:372772 is C50H68Cl2N8O3.
What is the molecular weight of RefChem:372772?
The molecular weight of RefChem:372772 is 898.48 g/mol.
Where can I buy RefChem:372772?
You can request a quote for RefChem:372772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372772?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.