4-nitro-N,N-dipropylbenzamide
TL;DR: 4-nitro-N,N-dipropylbenzamide (CAS 79868-22-7) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N,N-dipropylbenzamide
Also Known As: 4-nitro-N,N-dipropylbenzamide, 4-nitro-N,N-dipropyl-benzamide, p-nitrobenzoic acid dipropylamide, 4-Nitro-N,N-di-n-propylbenzamide, Benzamide, p-nitro-N,N-dipropyl-
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 79868-22-7 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | QMXJBGRHVJEDCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-nitro-N,N-dipropylbenzamide (CAS 79868-22-7), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 4-nitro-N,N-dipropylbenzamide.
Chemical Property Profile of 4-nitro-N,N-dipropylbenzamide
Property Insights of 4-nitro-N,N-dipropylbenzamide
The XLogP value of 3.0 indicates that 4-nitro-N,N-dipropylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N,N-dipropylbenzamide. Following Lipinski's Rule of Five, 4-nitro-N,N-dipropylbenzamide has 0 hydrogen bond donor(s) and 3 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 4-nitro-N,N-dipropylbenzamide?
The CAS number of 4-nitro-N,N-dipropylbenzamide is 79868-22-7.
What is the molecular formula of 4-nitro-N,N-dipropylbenzamide?
The molecular formula of 4-nitro-N,N-dipropylbenzamide is C13H18N2O3.
What is the molecular weight of 4-nitro-N,N-dipropylbenzamide?
The molecular weight of 4-nitro-N,N-dipropylbenzamide is 250.13 g/mol.
Where can I buy 4-nitro-N,N-dipropylbenzamide?
You can request a quote for 4-nitro-N,N-dipropylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitro-N,N-dipropylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N,N-dipropylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.