N-isopropyl-2-nitrobenzamide
TL;DR: N-isopropyl-2-nitrobenzamide (CAS 947-79-5) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-propan-2-ylbenzamide
Also Known As: N-isopropyl-2-nitrobenzamide, 2-nitro-N-propan-2-ylbenzamide, 2-nitro-N-(propan-2-yl)benzamide, N-Isopropyl-2-nitro-benzamide, Benzamide, N-(1-methylethyl)-2-nitro-
| Molecular Formula | C10H12N2O3 |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.0848 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 947-79-5 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | ZJMWYEHEWWSKQV-UHFFFAOYSA-N |
Product Overview
N-isopropyl-2-nitrobenzamide (CAS 947-79-5), with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol. IUPAC: 2-nitro-N-propan-2-ylbenzamide.
Chemical Property Profile of N-isopropyl-2-nitrobenzamide
Property Insights of N-isopropyl-2-nitrobenzamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isopropyl-2-nitrobenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-isopropyl-2-nitrobenzamide. Following Lipinski's Rule of Five, N-isopropyl-2-nitrobenzamide 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 N-isopropyl-2-nitrobenzamide?
The CAS number of N-isopropyl-2-nitrobenzamide is 947-79-5.
What is the molecular formula of N-isopropyl-2-nitrobenzamide?
The molecular formula of N-isopropyl-2-nitrobenzamide is C10H12N2O3.
What is the molecular weight of N-isopropyl-2-nitrobenzamide?
The molecular weight of N-isopropyl-2-nitrobenzamide is 208.08 g/mol.
Where can I buy N-isopropyl-2-nitrobenzamide?
You can request a quote for N-isopropyl-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isopropyl-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-isopropyl-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.