Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt)
TL;DR: Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt) (CAS 115175-22-9) is a chemical compound with molecular formula C14H22ClNO6 and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;2-(2-chlorophenoxy)acetic acid
Also Known As: 1H-Benzimidazole-1-methanethiol, KST-1A0710, (2-chlorophenoxy)acetic acid- 2,2',2''-nitrilotriethanol(1:1), Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt), 2-[bis(2-hydroxyethyl)amino]ethanol,2-(2-chlorophenoxy)acetic acid
| Molecular Formula | C14H22ClNO6 |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 0.0687 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 335.11356 |
| Heavy Atoms | 22 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 115175-22-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OCC(=O)O)Cl.C(CO)N(CCO)CCO |
| InChIKey | NQZZXMKBGJMCPB-UHFFFAOYSA-N |
Product Overview
Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt) (CAS 115175-22-9), with molecular formula C14H22ClNO6 and molecular weight 335.11 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;2-(2-chlorophenoxy)acetic acid.
Chemical Property Profile of Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt)
Property Insights of Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt)
The XLogP value of 0.0687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt). The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt). Following Lipinski's Rule of Five, Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt) has 4 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 Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt)?
The CAS number of Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt) is 115175-22-9.
What is the molecular formula of Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt)?
The molecular formula of Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt) is C14H22ClNO6.
What is the molecular weight of Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt)?
The molecular weight of Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt) is 335.11 g/mol.
Where can I buy Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt)?
You can request a quote for Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt)?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.