Methyl 2-anilinodiazenyl-5-nitro-benzoate
TL;DR: Methyl 2-anilinodiazenyl-5-nitro-benzoate (CAS 60042-01-5) is a chemical compound with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(anilinodiazenyl)-5-nitrobenzoate
Also Known As: methyl 2-(anilinodiazenyl)-5-nitrobenzoate, METHYL 2-ANILINODIAZENYL-5-NITRO-BENZOATE, 5-Nitro-2-phenyl-triazenobenzol-1-carbonsaeuremethylester, Methyl 5-nitro-2-[(1E)-3-phenyltriaz-1-en-1-yl]benzoate
| Molecular Formula | C14H12N4O4 |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.08585 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 60042-01-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N=NNC2=CC=CC=C2 |
| InChIKey | BEEOCWFLRLJNLC-UHFFFAOYSA-N |
Product Overview
Methyl 2-anilinodiazenyl-5-nitro-benzoate (CAS 60042-01-5), with molecular formula C14H12N4O4 and molecular weight 300.09 g/mol. IUPAC: methyl 2-(anilinodiazenyl)-5-nitrobenzoate.
Chemical Property Profile of Methyl 2-anilinodiazenyl-5-nitro-benzoate
Property Insights of Methyl 2-anilinodiazenyl-5-nitro-benzoate
The XLogP value of 3.7 indicates that Methyl 2-anilinodiazenyl-5-nitro-benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-anilinodiazenyl-5-nitro-benzoate. Following Lipinski's Rule of Five, Methyl 2-anilinodiazenyl-5-nitro-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 Methyl 2-anilinodiazenyl-5-nitro-benzoate?
The CAS number of Methyl 2-anilinodiazenyl-5-nitro-benzoate is 60042-01-5.
What is the molecular formula of Methyl 2-anilinodiazenyl-5-nitro-benzoate?
The molecular formula of Methyl 2-anilinodiazenyl-5-nitro-benzoate is C14H12N4O4.
What is the molecular weight of Methyl 2-anilinodiazenyl-5-nitro-benzoate?
The molecular weight of Methyl 2-anilinodiazenyl-5-nitro-benzoate is 300.09 g/mol.
Where can I buy Methyl 2-anilinodiazenyl-5-nitro-benzoate?
You can request a quote for Methyl 2-anilinodiazenyl-5-nitro-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-anilinodiazenyl-5-nitro-benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-anilinodiazenyl-5-nitro-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.