2,2',2''-Nitrilotriethyl tribenzoate
TL;DR: 2,2',2''-Nitrilotriethyl tribenzoate (CAS 477529-70-7) is a chemical compound with molecular formula C27H27NO6 and molecular weight 461.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-benzoyloxyethyl)amino]ethyl benzoate
Also Known As: 2,2',2''-Nitrilotriethyl tribenzoate, EINECS 256-334-4, Nitrilotri(ethane-2,1-diyl) tribenzoate, 2-[bis(2-benzoyloxyethyl)amino]ethyl benzoate, Ethanol, 2,2',2''-nitrilotris-, tribenzoate (ester)
| Molecular Formula | C27H27NO6 |
|---|---|
| Molecular Weight | 461.18 g/mol |
| LogP | 3.8594 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 461.18384 |
| Heavy Atoms | 34 |
| Complexity | 903.7869 |
Chemical Identifiers
| CAS Number | 477529-70-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCN(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3 |
Product Overview
2,2',2''-Nitrilotriethyl tribenzoate (CAS 477529-70-7), with molecular formula C27H27NO6 and molecular weight 461.18 g/mol. IUPAC: 2-[bis(2-benzoyloxyethyl)amino]ethyl benzoate.
Chemical Property Profile of 2,2',2''-Nitrilotriethyl tribenzoate
Property Insights of 2,2',2''-Nitrilotriethyl tribenzoate
The XLogP value of 3.8594 indicates that 2,2',2''-Nitrilotriethyl tribenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2',2''-Nitrilotriethyl tribenzoate. Following Lipinski's Rule of Five, 2,2',2''-Nitrilotriethyl tribenzoate has 0 hydrogen bond donor(s) and 7 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',2''-Nitrilotriethyl tribenzoate?
The CAS number of 2,2',2''-Nitrilotriethyl tribenzoate is 477529-70-7.
What is the molecular formula of 2,2',2''-Nitrilotriethyl tribenzoate?
The molecular formula of 2,2',2''-Nitrilotriethyl tribenzoate is C27H27NO6.
What is the molecular weight of 2,2',2''-Nitrilotriethyl tribenzoate?
The molecular weight of 2,2',2''-Nitrilotriethyl tribenzoate is 461.18 g/mol.
Where can I buy 2,2',2''-Nitrilotriethyl tribenzoate?
You can request a quote for 2,2',2''-Nitrilotriethyl tribenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',2''-Nitrilotriethyl tribenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2',2''-Nitrilotriethyl tribenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.