2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1)
TL;DR: 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1) (CAS 6948-70-5) is a chemical compound with molecular formula C25H33NO8 and molecular weight 475.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-benzylphenoxy)-N,N,2-trimethylpropan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1), 2-(2-benzylphenoxy)-N,N,2-trimethylpropan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-(2-benzylphenoxy)-N,N,2-trimethylpropan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-(2-benzylphenoxy)-N,N,2-trimethylpropan-1-amine (1/1)
| Molecular Formula | C25H33NO8 |
|---|---|
| Molecular Weight | 475.22 g/mol |
| LogP | 2.7479 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 475.2206 |
| Heavy Atoms | 34 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 6948-70-5 |
|---|---|
| SMILES | CC(C)(CN(C)C)OC1=CC=CC=C1CC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | YWDJTHKBUKTSPV-UHFFFAOYSA-N |
Product Overview
2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1) (CAS 6948-70-5), with molecular formula C25H33NO8 and molecular weight 475.22 g/mol. IUPAC: 2-(2-benzylphenoxy)-N,N,2-trimethylpropan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1)
Property Insights of 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1)
The XLogP value of 2.7479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1). The TPSA of 145.0 Ų indicates high polarity, suggesting 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1) has 4 hydrogen bond donor(s) and 9 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 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1)?
The CAS number of 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1) is 6948-70-5.
What is the molecular formula of 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1)?
The molecular formula of 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1) is C25H33NO8.
What is the molecular weight of 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1)?
The molecular weight of 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1) is 475.22 g/mol.
Where can I buy 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1)?
You can request a quote for 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-benzylphenoxy)-n,n,2-trimethylpropan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.