Einecs 259-353-6
TL;DR: Einecs 259-353-6 (CAS 54792-21-1) is a chemical compound with molecular formula C14H21Cl2NO5 and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dichlorophenoxy)butanoic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: EINECS 259-353-6, 4-(2,4-Dichlorophenoxy)butyric acid, compound with 2,2'-iminodiethanol (1:1), 4-(2,4-dichlorophenoxy)butanoic acid; 2-(2-hydroxyethylamino)ethanol, 4-(2,4-dichlorophenoxy)butanoic acid,2-(2-hydroxyethylamino)ethanol, 4-(2,4-Dichlorophenoxy)butanoic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)
| Molecular Formula | C14H21Cl2NO5 |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 1.7976 |
| Topological Polar Surface Area | 99.02 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 353.07968 |
| Heavy Atoms | 22 |
| Complexity | 427.69427 |
Chemical Identifiers
| CAS Number | 54792-21-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O.C(CO)NCCO |
Product Overview
Einecs 259-353-6 (CAS 54792-21-1), with molecular formula C14H21Cl2NO5 and molecular weight 353.08 g/mol. IUPAC: 4-(2,4-dichlorophenoxy)butanoic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of Einecs 259-353-6
Property Insights of Einecs 259-353-6
The XLogP value of 1.7976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 259-353-6. The TPSA of 99.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 259-353-6. Following Lipinski's Rule of Five, Einecs 259-353-6 has 4 hydrogen bond donor(s) and 5 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 Einecs 259-353-6?
The CAS number of Einecs 259-353-6 is 54792-21-1.
What is the molecular formula of Einecs 259-353-6?
The molecular formula of Einecs 259-353-6 is C14H21Cl2NO5.
What is the molecular weight of Einecs 259-353-6?
The molecular weight of Einecs 259-353-6 is 353.08 g/mol.
Where can I buy Einecs 259-353-6?
You can request a quote for Einecs 259-353-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 259-353-6?
Yes, KEHONG BIO provides custom synthesis services for Einecs 259-353-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.