RefChem:145672
TL;DR: RefChem:145672 (CAS 68929-01-1) is a chemical compound with molecular formula C42H81N3O7 and molecular weight 739.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-ethylheptanoic acid);2,4,6-tris[(dimethylamino)methyl]phenol
Also Known As: 4-aminobenzoate,cobalt(2+), 2,4,6-Tris((dimethylamino)methyl)phenol, tris(2-ethylhexanoate) (salt), 2-Ethylheptanoic acid compd. with 2,4,6-tris((dimethylamino)methyl)phenol (3:1), 2-ethylheptanoic acid- 2,4,6-tris[(dimethylamino)methyl]phenol(3:1), 2-ethylheptanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol
| Molecular Formula | C42H81N3O7 |
|---|---|
| Molecular Weight | 739.61 g/mol |
| LogP | 9.61 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 24 |
| Exact Mass | 739.6074 |
| Heavy Atoms | 52 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 68929-01-1 |
|---|---|
| SMILES | CCCCCC(CC)C(=O)O.CCCCCC(CC)C(=O)O.CCCCCC(CC)C(=O)O.CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C |
| InChIKey | ZUXTUCGPWHYQDZ-UHFFFAOYSA-N |
Product Overview
RefChem:145672 (CAS 68929-01-1), with molecular formula C42H81N3O7 and molecular weight 739.61 g/mol. IUPAC: tris(2-ethylheptanoic acid);2,4,6-tris[(dimethylamino)methyl]phenol.
Chemical Property Profile of RefChem:145672
Property Insights of RefChem:145672
The XLogP value of 9.61 indicates that RefChem:145672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting RefChem:145672 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:145672 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:145672?
The CAS number of RefChem:145672 is 68929-01-1.
What is the molecular formula of RefChem:145672?
The molecular formula of RefChem:145672 is C42H81N3O7.
What is the molecular weight of RefChem:145672?
The molecular weight of RefChem:145672 is 739.61 g/mol.
Where can I buy RefChem:145672?
You can request a quote for RefChem:145672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:145672?
Yes, KEHONG BIO provides custom synthesis services for RefChem:145672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.