RefChem:146187
TL;DR: RefChem:146187 (CAS 4572-95-6) is a chemical compound with molecular formula C39H75N3O7 and molecular weight 697.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-ethylhexanoic acid);2,4,6-tris[(dimethylamino)methyl]phenol
Also Known As: 2,4,6-Tri(dimethylaminomethyl)phenol 2-ethylhexanoic acid salt (1:3), 2,4,6-Tri(dimethylaminoethyl)phenol, 2-ethylhexanoic acid salt (1:3), 2,4,6-Tris((dimethylamino)methyl)phenol, 2-ethylhexanoic acid salt, 2-ethylhexanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol, 2-Ethylhexanoic acid, compound with 2,4,6-tris((dimethylamino)methyl)phenol (3:1)
| Molecular Formula | C39H75N3O7 |
|---|---|
| Molecular Weight | 697.56 g/mol |
| LogP | 8.44 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 21 |
| Exact Mass | 697.5605 |
| Heavy Atoms | 49 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 4572-95-6 |
|---|---|
| SMILES | CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C |
| InChIKey | HTKGRPSAFVPIOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:146187 (CAS 4572-95-6), with molecular formula C39H75N3O7 and molecular weight 697.56 g/mol. IUPAC: tris(2-ethylhexanoic acid);2,4,6-tris[(dimethylamino)methyl]phenol.
Chemical Property Profile of RefChem:146187
Property Insights of RefChem:146187
The XLogP value of 8.44 indicates that RefChem:146187 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting RefChem:146187 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:146187 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:146187?
The CAS number of RefChem:146187 is 4572-95-6.
What is the molecular formula of RefChem:146187?
The molecular formula of RefChem:146187 is C39H75N3O7.
What is the molecular weight of RefChem:146187?
The molecular weight of RefChem:146187 is 697.56 g/mol.
Where can I buy RefChem:146187?
You can request a quote for RefChem:146187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:146187?
Yes, KEHONG BIO provides custom synthesis services for RefChem:146187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.