RefChem:372576
TL;DR: RefChem:372576 (CAS 4356-25-6) is a chemical compound with molecular formula C20H27IN2 and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-benzylphenyl)methyl]-1,1-dimethylpiperazin-1-ium iodide
Also Known As: 1-Methyl-4-((2-(phenylmethyl)phenyl)methyl)piperazine compd. with iodomethane, 4-(2-benzylbenzyl)-1,1-dimethylpiperazin-1-ium iodide, Piperazine, 1-methyl-4-((2-(phenylmethyl)phenyl)methyl)-, compd. with iodomethane, 4-[(2-benzylphenyl)methyl]-1,1-dimethylpiperazin-1-ium iodide, 4-[(2-benzylphenyl)methyl]-1,1-dimethylpiperazin-1-ium,iodide
| Molecular Formula | C20H27IN2 |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 0.1734 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.1219 |
| Heavy Atoms | 23 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 4356-25-6 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)CC2=CC=CC=C2CC3=CC=CC=C3)C.[I-] |
| InChIKey | RDJVJAOBILOUQH-UHFFFAOYSA-M |
Product Overview
RefChem:372576 (CAS 4356-25-6), with molecular formula C20H27IN2 and molecular weight 422.12 g/mol. IUPAC: 4-[(2-benzylphenyl)methyl]-1,1-dimethylpiperazin-1-ium iodide.
Chemical Property Profile of RefChem:372576
Property Insights of RefChem:372576
The XLogP value of 0.1734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:372576. With a topological polar surface area (TPSA) of 3.2 Ų, RefChem:372576 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:372576 has 0 hydrogen bond donor(s) and 2 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 RefChem:372576?
The CAS number of RefChem:372576 is 4356-25-6.
What is the molecular formula of RefChem:372576?
The molecular formula of RefChem:372576 is C20H27IN2.
What is the molecular weight of RefChem:372576?
The molecular weight of RefChem:372576 is 422.12 g/mol.
Where can I buy RefChem:372576?
You can request a quote for RefChem:372576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372576?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.