4-nitro-N-pentylbenzamide
TL;DR: 4-nitro-N-pentylbenzamide (CAS 89399-20-2) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-pentylbenzamide
Also Known As: 4-nitro-N-pentylbenzamide, Benzamide, 4-nitro-N-pentyl-, (4-nitrophenyl)-N-pentylcarboxamide
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 89399-20-2 |
|---|---|
| SMILES | CCCCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BEPRYLWKWWVVQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-nitro-N-pentylbenzamide (CAS 89399-20-2), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 4-nitro-N-pentylbenzamide.
Chemical Property Profile of 4-nitro-N-pentylbenzamide
Property Insights of 4-nitro-N-pentylbenzamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-N-pentylbenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N-pentylbenzamide. Following Lipinski's Rule of Five, 4-nitro-N-pentylbenzamide has 1 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-pentylbenzamide?
The CAS number of 4-nitro-N-pentylbenzamide is 89399-20-2.
What is the molecular formula of 4-nitro-N-pentylbenzamide?
The molecular formula of 4-nitro-N-pentylbenzamide is C12H16N2O3.
What is the molecular weight of 4-nitro-N-pentylbenzamide?
The molecular weight of 4-nitro-N-pentylbenzamide is 236.12 g/mol.
Where can I buy 4-nitro-N-pentylbenzamide?
You can request a quote for 4-nitro-N-pentylbenzamide 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-pentylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-pentylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.