RefChem:860658
TL;DR: RefChem:860658 (CAS 68568-82-1) is a chemical compound with molecular formula C49H77CaN3O3 and molecular weight 795.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-[[2-[(2-hydroxy-5-octylphenyl)methyl-[2-[(5-octyl-2-oxidophenyl)methylamino]ethyl]amino]ethylamino]methyl]-4-octylphenolate
Also Known As: N,N-Bis-(2-(2-hydroxy-5-octylbenzylamino)ethyl)-2-hydroxy-5-octylbenzylamine, calcium salt, Calcium 2,2'-[[[(2-hydroxy-5-octylphenyl)methyl]imino]bis(ethane-1,2-diyliminomethylene)]bis[4-octylphenolate], Phenol, 2,2'-((((2-hydroxy-5-octylphenyl)methyl)imino)bis(2,1-ethanediyliminomethylene))bis(4-octyl-, calcium salt, Phenol, 2,2'-((((2-hydroxy-5-octylphenyl)methyl)imino)bis(2,1-ethanediyliminomethylene))bis(4-octyl-, calcium salt (1:?), Calcium 2,2'-((((2-hydroxy-5-octylphenyl)methyl)imino)bis(ethane-1,2-diyliminomethylene))bis(4-octylphenolate)
| Molecular Formula | C49H77CaN3O3 |
|---|---|
| Molecular Weight | 795.56 g/mol |
| LogP | 10.25 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 33 |
| Exact Mass | 795.5591 |
| Heavy Atoms | 56 |
| Complexity | 828.0 |
Chemical Identifiers
| CAS Number | 68568-82-1 |
|---|---|
| SMILES | CCCCCCCCC1=CC(=C(C=C1)[O-])CNCCN(CCNCC2=C(C=CC(=C2)CCCCCCCC)[O-])CC3=C(C=CC(=C3)CCCCCCCC)O.[Ca+2] |
| InChIKey | RWWNWXPUTUJRBY-UHFFFAOYSA-L |
Product Overview
RefChem:860658 (CAS 68568-82-1), with molecular formula C49H77CaN3O3 and molecular weight 795.56 g/mol. IUPAC: calcium 2-[[2-[(2-hydroxy-5-octylphenyl)methyl-[2-[(5-octyl-2-oxidophenyl)methylamino]ethyl]amino]ethylamino]methyl]-4-octylphenolate.
Chemical Property Profile of RefChem:860658
Property Insights of RefChem:860658
The XLogP value of 10.25 indicates that RefChem:860658 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:860658. Following Lipinski's Rule of Five, RefChem:860658 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:860658?
The CAS number of RefChem:860658 is 68568-82-1.
What is the molecular formula of RefChem:860658?
The molecular formula of RefChem:860658 is C49H77CaN3O3.
What is the molecular weight of RefChem:860658?
The molecular weight of RefChem:860658 is 795.56 g/mol.
Where can I buy RefChem:860658?
You can request a quote for RefChem:860658 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:860658?
Yes, KEHONG BIO provides custom synthesis services for RefChem:860658 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.