4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride
TL;DR: 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride (CAS 5505-03-3) is a chemical compound with molecular formula C25H40Cl2N2O and molecular weight 454.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-(dimethylazaniumyl)-4-hydroxy-4-[2-(2-phenylethyl)phenyl]heptyl]-dimethylazanium dichloride
Also Known As: 4-HEPTANOL, 1,7-BIS(DIMETHYLAMINO)-4-(o-PHENETHYLPHENYL)-, DIHYDROCHLORIDE, 1,7-Bis(dimethylamino)-4-(2-(2-phenylethyl)phenyl)heptan-4-ol dihydrochloride, [7-(dimethylazaniumyl)-4-hydroxy-4-(2-phenethylphenyl)heptyl]-dimethylazanium dichloride, RefChem:292987
| Molecular Formula | C25H40Cl2N2O |
|---|---|
| Molecular Weight | 454.25 g/mol |
| LogP | -4.48 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 454.25177 |
| Heavy Atoms | 30 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 5505-03-3 |
|---|---|
| SMILES | C[NH+](C)CCCC(CCC[NH+](C)C)(C1=CC=CC=C1CCC2=CC=CC=C2)O.[Cl-].[Cl-] |
| InChIKey | NCFDBRPIBQCHAV-UHFFFAOYSA-N |
Product Overview
4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride (CAS 5505-03-3), with molecular formula C25H40Cl2N2O and molecular weight 454.25 g/mol. IUPAC: [7-(dimethylazaniumyl)-4-hydroxy-4-[2-(2-phenylethyl)phenyl]heptyl]-dimethylazanium dichloride.
Chemical Property Profile of 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride
Property Insights of 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride
The XLogP value of -4.48 indicates that 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.1 Ų, 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride has 3 hydrogen bond donor(s) and 3 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 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride?
The CAS number of 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride is 5505-03-3.
What is the molecular formula of 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride?
The molecular formula of 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride is C25H40Cl2N2O.
What is the molecular weight of 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride?
The molecular weight of 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride is 454.25 g/mol.
Where can I buy 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride?
You can request a quote for 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.