N-cyclopentyl-3-methyl-2-nitrobenzamide
TL;DR: N-cyclopentyl-3-methyl-2-nitrobenzamide (CAS 600126-79-2) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopentyl-3-methyl-2-nitrobenzamide
Also Known As: N-cyclopentyl-3-methyl-2-nitrobenzamide, BENZAMIDE, N-CYCLOPENTYL-3-METHYL-2-NITRO-, Benzamide,N-cyclopentyl-3-methyl-2-nitro-, N-cyclopentyl(3-methyl-2-nitrophenyl)carboxamide, Benzamide, N-cyclopentyl-3-methyl-2-nitro- (9CI)
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.57562 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 479.12476 |
Chemical Identifiers
| CAS Number | 600126-79-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)NC2CCCC2)[N+](=O)[O-] |
Product Overview
N-cyclopentyl-3-methyl-2-nitrobenzamide (CAS 600126-79-2), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: N-cyclopentyl-3-methyl-2-nitrobenzamide.
Chemical Property Profile of N-cyclopentyl-3-methyl-2-nitrobenzamide
Property Insights of N-cyclopentyl-3-methyl-2-nitrobenzamide
The XLogP value of 2.57562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-cyclopentyl-3-methyl-2-nitrobenzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cyclopentyl-3-methyl-2-nitrobenzamide. Following Lipinski's Rule of Five, N-cyclopentyl-3-methyl-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-cyclopentyl-3-methyl-2-nitrobenzamide?
The CAS number of N-cyclopentyl-3-methyl-2-nitrobenzamide is 600126-79-2.
What is the molecular formula of N-cyclopentyl-3-methyl-2-nitrobenzamide?
The molecular formula of N-cyclopentyl-3-methyl-2-nitrobenzamide is C13H16N2O3.
What is the molecular weight of N-cyclopentyl-3-methyl-2-nitrobenzamide?
The molecular weight of N-cyclopentyl-3-methyl-2-nitrobenzamide is 248.12 g/mol.
Where can I buy N-cyclopentyl-3-methyl-2-nitrobenzamide?
You can request a quote for N-cyclopentyl-3-methyl-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-cyclopentyl-3-methyl-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyclopentyl-3-methyl-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.