RefChem:1061948
TL;DR: RefChem:1061948 (CAS 31385-05-4) is a chemical compound with molecular formula C44H59N3 and molecular weight 629.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)hexyl]-2-(2-pyrrolidin-1-ylethyl)hexan-1-imine
Also Known As: Pyrrolidine, 1,1'-(delta,delta'-nitriloditetramethylene)bis(gamma-butyl-gamma-(1-naphthyl)-, 1,1'-(delta,delta'-Nitriloditetramethylene)bis(gamma-butyl-gamma-(1-naphthyl)pyrrolidine), 2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-pyrrolidin-1-yle, 1-Pyrrolidinebutanamine, .beta.-butyl-N-[2-butyl-2-(1-naphthalenyl)-4-(1-pyrrolidinyl)butylidene]-.beta.-(1-naphthalenyl)-, 1-Pyrrolidinebutanamine, beta-butyl-N-(2-butyl-2-(1-naphthalenyl)-4-(1-pyrrolidinyl)butylidene)-beta-(1-naphthalenyl)-
| Molecular Formula | C44H59N3 |
|---|---|
| Molecular Weight | 629.47 g/mol |
| LogP | 11.3 |
| Topological Polar Surface Area | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 629.4709 |
| Heavy Atoms | 47 |
| Complexity | 919.0 |
Chemical Identifiers
| CAS Number | 31385-05-4 |
|---|---|
| SMILES | CCCCC(CCN1CCCC1)(CN=CC(CCCC)(CCN2CCCC2)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65 |
| InChIKey | KDHJSPKCPAVNNF-UHFFFAOYSA-N |
Product Overview
RefChem:1061948 (CAS 31385-05-4), with molecular formula C44H59N3 and molecular weight 629.47 g/mol. IUPAC: 2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)hexyl]-2-(2-pyrrolidin-1-ylethyl)hexan-1-imine.
Chemical Property Profile of RefChem:1061948
Property Insights of RefChem:1061948
The XLogP value of 11.3 indicates that RefChem:1061948 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.8 Ų, RefChem:1061948 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061948 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1061948?
The CAS number of RefChem:1061948 is 31385-05-4.
What is the molecular formula of RefChem:1061948?
The molecular formula of RefChem:1061948 is C44H59N3.
What is the molecular weight of RefChem:1061948?
The molecular weight of RefChem:1061948 is 629.47 g/mol.
Where can I buy RefChem:1061948?
You can request a quote for RefChem:1061948 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061948?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.