N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane
TL;DR: N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane (CAS 117654-73-6) is a chemical compound with molecular formula C28H46N4 and molecular weight 438.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis[3-(benzylamino)propyl]octane-1,8-diamine
Also Known As: Mdl 27391, N,N'-bis[3-(benzylamino)propyl]octane-1,8-diamine, 1-(N-m-chlorophenyl)imidazole-1-carboxamide, N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane, 1,20-DIPHENYL-2,6,15,19-TETRAAZAICOSANE
| Molecular Formula | C28H46N4 |
|---|---|
| Molecular Weight | 438.37 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 438.37225 |
| Heavy Atoms | 32 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 117654-73-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCCNCCCCCCCCNCCCNCC2=CC=CC=C2 |
| InChIKey | ACAZYEPMRWHZOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane (CAS 117654-73-6), with molecular formula C28H46N4 and molecular weight 438.37 g/mol. IUPAC: N,N'-bis[3-(benzylamino)propyl]octane-1,8-diamine.
Chemical Property Profile of N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane
Property Insights of N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane
The XLogP value of 4.7 indicates that N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.1 Ų, N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane has 4 hydrogen bond donor(s) and 4 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 N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane?
The CAS number of N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane is 117654-73-6.
What is the molecular formula of N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane?
The molecular formula of N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane is C28H46N4.
What is the molecular weight of N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane?
The molecular weight of N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane is 438.37 g/mol.
Where can I buy N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane?
You can request a quote for N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Di-(3-((phenylmethyl)amino)propyl)-1,8-diaminooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.