N-(1-hydroxybutan-2-yl)-3-nitrobenzamide
TL;DR: N-(1-hydroxybutan-2-yl)-3-nitrobenzamide (CAS 413573-36-1) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-hydroxybutan-2-yl)-3-nitrobenzamide
Also Known As: N-(1-hydroxybutan-2-yl)-3-nitrobenzamide, N-[1-(hydroxymethyl)propyl]-3-nitrobenzamide, N-(1-ethyl-2-hydroxyethyl)(3-nitrophenyl)carboxamide
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 1.0955 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 415.68738 |
Chemical Identifiers
| CAS Number | 413573-36-1 |
|---|---|
| SMILES | CCC(CO)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
N-(1-hydroxybutan-2-yl)-3-nitrobenzamide (CAS 413573-36-1), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: N-(1-hydroxybutan-2-yl)-3-nitrobenzamide.
Chemical Property Profile of N-(1-hydroxybutan-2-yl)-3-nitrobenzamide
Property Insights of N-(1-hydroxybutan-2-yl)-3-nitrobenzamide
The XLogP value of 1.0955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-hydroxybutan-2-yl)-3-nitrobenzamide. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-hydroxybutan-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(1-hydroxybutan-2-yl)-3-nitrobenzamide has 2 hydrogen bond donor(s) and 4 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-(1-hydroxybutan-2-yl)-3-nitrobenzamide?
The CAS number of N-(1-hydroxybutan-2-yl)-3-nitrobenzamide is 413573-36-1.
What is the molecular formula of N-(1-hydroxybutan-2-yl)-3-nitrobenzamide?
The molecular formula of N-(1-hydroxybutan-2-yl)-3-nitrobenzamide is C11H14N2O4.
What is the molecular weight of N-(1-hydroxybutan-2-yl)-3-nitrobenzamide?
The molecular weight of N-(1-hydroxybutan-2-yl)-3-nitrobenzamide is 238.10 g/mol.
Where can I buy N-(1-hydroxybutan-2-yl)-3-nitrobenzamide?
You can request a quote for N-(1-hydroxybutan-2-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-hydroxybutan-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-hydroxybutan-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.