![2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate structure](/static/products/4242/42421-56-7.webp)
2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate
TL;DR: 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate (CAS 42421-56-7) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate
Also Known As: isobutyl 4-(3-nitrobenzamido)benzoate, isobutyl 4-({3-nitrobenzoyl}amino)benzoate, 2-methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate, Isobutyl 4-[(3-nitrobenzoyl)amino]benzoate, AB00075192-01
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 42421-56-7 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | BBDBLQDNXVCSSD-UHFFFAOYSA-N |
Product Overview
2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate (CAS 42421-56-7), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: 2-methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate.
Chemical Property Profile of 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate
Property Insights of 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate
The XLogP value of 4.1 indicates that 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate. Following Lipinski's Rule of Five, 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate has 1 hydrogen bond donor(s) and 5 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-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate?
The CAS number of 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate is 42421-56-7.
What is the molecular formula of 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate?
The molecular formula of 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate is C18H18N2O5.
What is the molecular weight of 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate?
The molecular weight of 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate is 342.12 g/mol.
Where can I buy 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate?
You can request a quote for 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropyl 4-[(3-nitrobenzoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.