RefChem:146186
TL;DR: RefChem:146186 (CAS 51365-70-9) is a chemical compound with molecular formula C23H43N3O3 and molecular weight 409.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexanoic acid;2,4,6-tris[(dimethylamino)methyl]phenol
Also Known As: 2-ethylhexanoic acid; 2,4,6-tris(dimethylaminomethyl)phenol, Hexanoic acid, 2-ethyl-, compd. with 2,4,6-tris((dimethylamino)methyl)phenol, Hexanoic acid, 2-ethyl-, compd. with 2,4,6-tris((dimethylamino)methyl)phenol (1:?), 2-Ethylhexanoic acid, compound with 2,4,6-tris((dimethylamino)methyl)phenol, 2-ethylhexanoic Acid,2,4,6-tris[(dimethylamino)methyl]phenol
| Molecular Formula | C23H43N3O3 |
|---|---|
| Molecular Weight | 409.33 g/mol |
| LogP | 3.86 |
| Topological Polar Surface Area | 67.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 409.33044 |
| Heavy Atoms | 29 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 51365-70-9 |
|---|---|
| SMILES | CCCCC(CC)C(=O)O.CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C |
| InChIKey | KKQQXMRXGMYUPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:146186 (CAS 51365-70-9), with molecular formula C23H43N3O3 and molecular weight 409.33 g/mol. IUPAC: 2-ethylhexanoic acid;2,4,6-tris[(dimethylamino)methyl]phenol.
Chemical Property Profile of RefChem:146186
Property Insights of RefChem:146186
The XLogP value of 3.86 indicates that RefChem:146186 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:146186. Following Lipinski's Rule of Five, RefChem:146186 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:146186?
The CAS number of RefChem:146186 is 51365-70-9.
What is the molecular formula of RefChem:146186?
The molecular formula of RefChem:146186 is C23H43N3O3.
What is the molecular weight of RefChem:146186?
The molecular weight of RefChem:146186 is 409.33 g/mol.
Where can I buy RefChem:146186?
You can request a quote for RefChem:146186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:146186?
Yes, KEHONG BIO provides custom synthesis services for RefChem:146186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.