2-(2,4-Dinitroanilino)ethyl propanoate
TL;DR: 2-(2,4-Dinitroanilino)ethyl propanoate (CAS 56820-36-1) is a chemical compound with molecular formula C11H13N3O6 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitroanilino)ethyl propanoate
Also Known As: 2-(2,4-dinitroanilino)ethyl propanoate, 2-[(2,4-dinitrophenyl)amino]ethyl propanoate
| Molecular Formula | C11H13N3O6 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.08044 |
| Heavy Atoms | 20 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 56820-36-1 |
|---|---|
| SMILES | CCC(=O)OCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PYSJSLNJGUCXCJ-UHFFFAOYSA-N |
Product Overview
2-(2,4-Dinitroanilino)ethyl propanoate (CAS 56820-36-1), with molecular formula C11H13N3O6 and molecular weight 283.08 g/mol. IUPAC: 2-(2,4-dinitroanilino)ethyl propanoate.
Chemical Property Profile of 2-(2,4-Dinitroanilino)ethyl propanoate
Property Insights of 2-(2,4-Dinitroanilino)ethyl propanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Dinitroanilino)ethyl propanoate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dinitroanilino)ethyl propanoate. Following Lipinski's Rule of Five, 2-(2,4-Dinitroanilino)ethyl propanoate 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 propanoate?
The CAS number of 2-(2,4-Dinitroanilino)ethyl propanoate is 56820-36-1.
What is the molecular formula of 2-(2,4-Dinitroanilino)ethyl propanoate?
The molecular formula of 2-(2,4-Dinitroanilino)ethyl propanoate is C11H13N3O6.
What is the molecular weight of 2-(2,4-Dinitroanilino)ethyl propanoate?
The molecular weight of 2-(2,4-Dinitroanilino)ethyl propanoate is 283.08 g/mol.
Where can I buy 2-(2,4-Dinitroanilino)ethyl propanoate?
You can request a quote for 2-(2,4-Dinitroanilino)ethyl propanoate 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 propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dinitroanilino)ethyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.