RefChem:221708
TL;DR: RefChem:221708 (CAS 19947-09-2) is a chemical compound with molecular formula C25H40Cl2N2 and molecular weight 438.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(dimethylazaniumyl)-4-[2-(2-phenylethyl)phenyl]heptyl]-dimethylazanium dichloride
Also Known As: C25H38N2.2ClH.1/2H2O, C25-H38-N2.2Cl-H.1/2H2-O, 1,7-Bis(dimethylamino)-4-(2-(2-phenylethyl)phenyl)heptane dihydrochloride hemihydrate, 4-(o-Phenethylphenyl)-N,N,N',N'-tetramethyl-1,7-heptanediamine 2HCl hemihydrate, 1,7-Heptanediamine, 4-(o-phenethylphenyl)-N,N,N',N'-tetramethyl-, hydrochloride, hydrate (2:4:1)
| Molecular Formula | C25H40Cl2N2 |
|---|---|
| Molecular Weight | 438.26 g/mol |
| LogP | -3.59 |
| Topological Polar Surface Area | 8.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 438.25687 |
| Heavy Atoms | 29 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 19947-09-2 |
|---|---|
| SMILES | C[NH+](C)CCCC(CCC[NH+](C)C)C1=CC=CC=C1CCC2=CC=CC=C2.[Cl-].[Cl-] |
| InChIKey | BNUBHKKNUUTHBT-UHFFFAOYSA-N |
Product Overview
RefChem:221708 (CAS 19947-09-2), with molecular formula C25H40Cl2N2 and molecular weight 438.26 g/mol. IUPAC: [7-(dimethylazaniumyl)-4-[2-(2-phenylethyl)phenyl]heptyl]-dimethylazanium dichloride.
Chemical Property Profile of RefChem:221708
Property Insights of RefChem:221708
The XLogP value of -3.59 indicates that RefChem:221708 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 8.9 Ų, RefChem:221708 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:221708 has 2 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:221708?
The CAS number of RefChem:221708 is 19947-09-2.
What is the molecular formula of RefChem:221708?
The molecular formula of RefChem:221708 is C25H40Cl2N2.
What is the molecular weight of RefChem:221708?
The molecular weight of RefChem:221708 is 438.26 g/mol.
Where can I buy RefChem:221708?
You can request a quote for RefChem:221708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:221708?
Yes, KEHONG BIO provides custom synthesis services for RefChem:221708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.