Methyl 2-(2,4,6-trinitroanilino)benzoate
TL;DR: Methyl 2-(2,4,6-trinitroanilino)benzoate (CAS 30060-25-4) is a chemical compound with molecular formula C14H10N4O8 and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,4,6-trinitroanilino)benzoate
Also Known As: methyl 2-(2,4,6-trinitroanilino)benzoate, Methyl 2-[(2,4,6-trinitrophenyl)amino]benzoate, methyl n-(2,4,6-trinitrophenyl)anthranilate
| Molecular Formula | C14H10N4O8 |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 2.9414 |
| Topological Polar Surface Area | 167.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.04987 |
| Heavy Atoms | 26 |
| Complexity | 891.90796 |
Chemical Identifiers
| CAS Number | 30060-25-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Methyl 2-(2,4,6-trinitroanilino)benzoate (CAS 30060-25-4), with molecular formula C14H10N4O8 and molecular weight 362.05 g/mol. IUPAC: methyl 2-(2,4,6-trinitroanilino)benzoate.
Chemical Property Profile of Methyl 2-(2,4,6-trinitroanilino)benzoate
Property Insights of Methyl 2-(2,4,6-trinitroanilino)benzoate
The XLogP value of 2.9414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2,4,6-trinitroanilino)benzoate. The TPSA of 167.75 Ų indicates high polarity, suggesting Methyl 2-(2,4,6-trinitroanilino)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2-(2,4,6-trinitroanilino)benzoate has 1 hydrogen bond donor(s) and 9 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 Methyl 2-(2,4,6-trinitroanilino)benzoate?
The CAS number of Methyl 2-(2,4,6-trinitroanilino)benzoate is 30060-25-4.
What is the molecular formula of Methyl 2-(2,4,6-trinitroanilino)benzoate?
The molecular formula of Methyl 2-(2,4,6-trinitroanilino)benzoate is C14H10N4O8.
What is the molecular weight of Methyl 2-(2,4,6-trinitroanilino)benzoate?
The molecular weight of Methyl 2-(2,4,6-trinitroanilino)benzoate is 362.05 g/mol.
Where can I buy Methyl 2-(2,4,6-trinitroanilino)benzoate?
You can request a quote for Methyl 2-(2,4,6-trinitroanilino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2,4,6-trinitroanilino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2,4,6-trinitroanilino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.