Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester
TL;DR: Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester (CAS 67829-92-9) is a chemical compound with molecular formula C14H9Cl2NO5 and molecular weight 340.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl) 2-(2,4-dichlorophenoxy)acetate
Also Known As: 2-nitrophenyl (2,4-dichlorophenoxy)acetate, Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester, BIM-0031935.P001, (2-nitrophenyl) 2-(2,4-dichlorophenoxy)acetate
| Molecular Formula | C14H9Cl2NO5 |
|---|---|
| Molecular Weight | 340.99 g/mol |
| LogP | 3.886 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.98578 |
| Heavy Atoms | 22 |
| Complexity | 720.12946 |
Chemical Identifiers
| CAS Number | 67829-92-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OC(=O)COC2=C(C=C(C=C2)Cl)Cl |
Product Overview
Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester (CAS 67829-92-9), with molecular formula C14H9Cl2NO5 and molecular weight 340.99 g/mol. IUPAC: (2-nitrophenyl) 2-(2,4-dichlorophenoxy)acetate.
Chemical Property Profile of Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester
Property Insights of Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester
The XLogP value of 3.886 indicates that Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester. Following Lipinski's Rule of Five, Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester has 0 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 Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester?
The CAS number of Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester is 67829-92-9.
What is the molecular formula of Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester?
The molecular formula of Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester is C14H9Cl2NO5.
What is the molecular weight of Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester?
The molecular weight of Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester is 340.99 g/mol.
Where can I buy Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester?
You can request a quote for Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (2,4-dichlorophenoxy)-, 2-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.