2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate
TL;DR: 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate (CAS 882865-77-2) is a chemical compound with molecular formula C15H11Cl2NO4 and molecular weight 339.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl)methyl 2-methyl-3-nitrobenzoate
Also Known As: 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate, (2,4-dichlorophenyl)methyl 2-methyl-3-nitrobenzoate, 668-328-2, RefChem:443463
| Molecular Formula | C15H11Cl2NO4 |
|---|---|
| Molecular Weight | 339.01 g/mol |
| LogP | 4.56702 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.0065 |
| Heavy Atoms | 22 |
| Complexity | 746.31744 |
Chemical Identifiers
| CAS Number | 882865-77-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)Cl)Cl |
Product Overview
2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate (CAS 882865-77-2), with molecular formula C15H11Cl2NO4 and molecular weight 339.01 g/mol. IUPAC: (2,4-dichlorophenyl)methyl 2-methyl-3-nitrobenzoate.
Chemical Property Profile of 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate
Property Insights of 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate
The XLogP value of 4.56702 indicates that 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate. Following Lipinski's Rule of Five, 2,4-Dichlorobenzyl 2-methyl-3-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-Dichlorobenzyl 2-methyl-3-nitrobenzoate?
The CAS number of 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate is 882865-77-2.
What is the molecular formula of 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate?
The molecular formula of 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate is C15H11Cl2NO4.
What is the molecular weight of 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate?
The molecular weight of 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate is 339.01 g/mol.
Where can I buy 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate?
You can request a quote for 2,4-Dichlorobenzyl 2-methyl-3-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-Dichlorobenzyl 2-methyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzyl 2-methyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.