![[1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate structure](/static/products/6867/6867-51-2.webp)
[1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate
TL;DR: [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate (CAS 6867-51-2) is a chemical compound with molecular formula C17H13Cl2N3O7 and molecular weight 441.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate
Also Known As: [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate|1-(3,5-Dichloroanilino)-1-oxopropan-2-yl 4-methyl-3,5-dinitrobenzoate|1-[(3,5-dichlorophenyl)carbamoyl]ethyl 4-methyl-3,5-dinitro-benzoate
| Molecular Formula | C17H13Cl2N3O7 |
|---|---|
| Molecular Weight | 441.01 g/mol |
| LogP | 4.30222 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.01306 |
| Heavy Atoms | 29 |
| Complexity | 970.82635 |
Chemical Identifiers
| CAS Number | 6867-51-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC(=CC(=C2)Cl)Cl)[N+](=O)[O-] |
Product Overview
[1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate (CAS 6867-51-2), with molecular formula C17H13Cl2N3O7 and molecular weight 441.01 g/mol. IUPAC: [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate.
Chemical Property Profile of [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate
Property Insights of [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate
The XLogP value of 4.30222 indicates that [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.68 Ų indicates high polarity, suggesting [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate has 1 hydrogen bond donor(s) and 7 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 [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate?
The CAS number of [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate is 6867-51-2.
What is the molecular formula of [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate?
The molecular formula of [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate is C17H13Cl2N3O7.
What is the molecular weight of [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate?
The molecular weight of [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate is 441.01 g/mol.
Where can I buy [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate?
You can request a quote for [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [1-(3,5-Dichloroanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.