Dichloroacetic acid, 4-nitrophenyl ester
TL;DR: Dichloroacetic acid, 4-nitrophenyl ester (CAS 780-32-5) is a chemical compound with molecular formula C8H5Cl2NO4 and molecular weight 248.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2,2-dichloroacetate
Also Known As: 4-nitrophenyl dichloroacetate, p-nitrophenyl dichloroacetate, Dichloroacetic acid, 4-nitrophenyl ester, (4-nitrophenyl) 2,2-dichloroacetate, Dichloroacetic acid 4-nitrophenyl ester
| Molecular Formula | C8H5Cl2NO4 |
|---|---|
| Molecular Weight | 248.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.95956 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 780-32-5 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(Cl)Cl |
| InChIKey | PXRGBMOGEXCISN-UHFFFAOYSA-N |
Product Overview
Dichloroacetic acid, 4-nitrophenyl ester (CAS 780-32-5), with molecular formula C8H5Cl2NO4 and molecular weight 248.96 g/mol. IUPAC: (4-nitrophenyl) 2,2-dichloroacetate.
Chemical Property Profile of Dichloroacetic acid, 4-nitrophenyl ester
Property Insights of Dichloroacetic acid, 4-nitrophenyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichloroacetic acid, 4-nitrophenyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dichloroacetic acid, 4-nitrophenyl ester. Following Lipinski's Rule of Five, Dichloroacetic acid, 4-nitrophenyl ester has 0 hydrogen bond donor(s) and 4 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 Dichloroacetic acid, 4-nitrophenyl ester?
The CAS number of Dichloroacetic acid, 4-nitrophenyl ester is 780-32-5.
What is the molecular formula of Dichloroacetic acid, 4-nitrophenyl ester?
The molecular formula of Dichloroacetic acid, 4-nitrophenyl ester is C8H5Cl2NO4.
What is the molecular weight of Dichloroacetic acid, 4-nitrophenyl ester?
The molecular weight of Dichloroacetic acid, 4-nitrophenyl ester is 248.96 g/mol.
Where can I buy Dichloroacetic acid, 4-nitrophenyl ester?
You can request a quote for Dichloroacetic acid, 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloroacetic acid, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Dichloroacetic acid, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.