RefChem:378919
TL;DR: RefChem:378919 (CAS 63716-79-0) is a chemical compound with molecular formula C17H44N3O12P3 and molecular weight 575.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
Also Known As: Quinuclidine, 2-(((4-diethylamino-1-methyl)butyl)aminomethyl)-, tris(hydrogen phosphate), n4-(1-azabicyclo[2.2.2]oct-2-ylmethyl)-n1,n1-diethylpentane-1,4-diamine phosphate(1:3), 4-N-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine; phosphoric acid, Phosphoric acid--N~4~-[(1-azabicyclo[2.2.2]octan-2-yl)methyl]-N~1~,N~1~-diethylpentane-1,4-diamine (3/1), RefChem:378919
| Molecular Formula | C17H44N3O12P3 |
|---|---|
| Molecular Weight | 575.21 g/mol |
| LogP | -0.21 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 575.2138 |
| Heavy Atoms | 35 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 63716-79-0 |
|---|---|
| SMILES | CCN(CC)CCCC(C)NCC1CC2CCN1CC2.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O |
| InChIKey | VHRHWROFSPKUJO-UHFFFAOYSA-N |
Product Overview
RefChem:378919 (CAS 63716-79-0), with molecular formula C17H44N3O12P3 and molecular weight 575.21 g/mol. IUPAC: 4-N-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid.
Chemical Property Profile of RefChem:378919
Property Insights of RefChem:378919
The XLogP value of -0.21 indicates that RefChem:378919 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 252.0 Ų indicates high polarity, suggesting RefChem:378919 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378919 has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:378919?
The CAS number of RefChem:378919 is 63716-79-0.
What is the molecular formula of RefChem:378919?
The molecular formula of RefChem:378919 is C17H44N3O12P3.
What is the molecular weight of RefChem:378919?
The molecular weight of RefChem:378919 is 575.21 g/mol.
Where can I buy RefChem:378919?
You can request a quote for RefChem:378919 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378919?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.