2-(2,4-Dinitroanilino)ethyl benzoate
TL;DR: 2-(2,4-Dinitroanilino)ethyl benzoate (CAS 19283-92-2) is a chemical compound with molecular formula C15H13N3O6 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitroanilino)ethyl benzoate
Also Known As: 2-(2,4-dinitroanilino)ethyl benzoate
| Molecular Formula | C15H13N3O6 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.08044 |
| Heavy Atoms | 24 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 19283-92-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MJVKLAKFMIPOIA-UHFFFAOYSA-N |
Product Overview
2-(2,4-Dinitroanilino)ethyl benzoate (CAS 19283-92-2), with molecular formula C15H13N3O6 and molecular weight 331.08 g/mol. IUPAC: 2-(2,4-dinitroanilino)ethyl benzoate.
Chemical Property Profile of 2-(2,4-Dinitroanilino)ethyl benzoate
Property Insights of 2-(2,4-Dinitroanilino)ethyl benzoate
The XLogP value of 3.7 indicates that 2-(2,4-Dinitroanilino)ethyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dinitroanilino)ethyl benzoate. Following Lipinski's Rule of Five, 2-(2,4-Dinitroanilino)ethyl benzoate 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 2-(2,4-Dinitroanilino)ethyl benzoate?
The CAS number of 2-(2,4-Dinitroanilino)ethyl benzoate is 19283-92-2.
What is the molecular formula of 2-(2,4-Dinitroanilino)ethyl benzoate?
The molecular formula of 2-(2,4-Dinitroanilino)ethyl benzoate is C15H13N3O6.
What is the molecular weight of 2-(2,4-Dinitroanilino)ethyl benzoate?
The molecular weight of 2-(2,4-Dinitroanilino)ethyl benzoate is 331.08 g/mol.
Where can I buy 2-(2,4-Dinitroanilino)ethyl benzoate?
You can request a quote for 2-(2,4-Dinitroanilino)ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dinitroanilino)ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dinitroanilino)ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.