(2,4,6-Trichlorophenyl) 4-nitrobenzoate
TL;DR: (2,4,6-Trichlorophenyl) 4-nitrobenzoate (CAS 7510-10-3) is a chemical compound with molecular formula C13H6Cl3NO4 and molecular weight 344.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trichlorophenyl) 4-nitrobenzoate
Also Known As: (2,4,6-trichlorophenyl) 4-nitrobenzoate, 2,4,6-Trichlorophenyl 4-nitrobenzoate, Phenol, 2,4,6-trichloro-, p-nitrobenzoate, 4-Nitrobenzoic acid, 2,4,6-trichlorophenyl ester, RefChem:205489
| Molecular Formula | C13H6Cl3NO4 |
|---|---|
| Molecular Weight | 344.94 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.93625 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 7510-10-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)[N+](=O)[O-] |
| InChIKey | KSIOWVBLXOVHSC-UHFFFAOYSA-N |
Product Overview
(2,4,6-Trichlorophenyl) 4-nitrobenzoate (CAS 7510-10-3), with molecular formula C13H6Cl3NO4 and molecular weight 344.94 g/mol. IUPAC: (2,4,6-trichlorophenyl) 4-nitrobenzoate.
Chemical Property Profile of (2,4,6-Trichlorophenyl) 4-nitrobenzoate
Property Insights of (2,4,6-Trichlorophenyl) 4-nitrobenzoate
The XLogP value of 4.6 indicates that (2,4,6-Trichlorophenyl) 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4,6-Trichlorophenyl) 4-nitrobenzoate. Following Lipinski's Rule of Five, (2,4,6-Trichlorophenyl) 4-nitrobenzoate 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 (2,4,6-Trichlorophenyl) 4-nitrobenzoate?
The CAS number of (2,4,6-Trichlorophenyl) 4-nitrobenzoate is 7510-10-3.
What is the molecular formula of (2,4,6-Trichlorophenyl) 4-nitrobenzoate?
The molecular formula of (2,4,6-Trichlorophenyl) 4-nitrobenzoate is C13H6Cl3NO4.
What is the molecular weight of (2,4,6-Trichlorophenyl) 4-nitrobenzoate?
The molecular weight of (2,4,6-Trichlorophenyl) 4-nitrobenzoate is 344.94 g/mol.
Where can I buy (2,4,6-Trichlorophenyl) 4-nitrobenzoate?
You can request a quote for (2,4,6-Trichlorophenyl) 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4,6-Trichlorophenyl) 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,4,6-Trichlorophenyl) 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.