N-(3-methylbutyl)-2-nitrobenzamide
TL;DR: N-(3-methylbutyl)-2-nitrobenzamide (CAS 349085-92-3) 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.
N-(3-methylbutyl)-2-nitrobenzamide
Also Known As: N-(3-methylbutyl)-2-nitrobenzamide, BIM-0004079.P001
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.3707 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 415.9667 |
Chemical Identifiers
| CAS Number | 349085-92-3 |
|---|---|
| SMILES | CC(C)CCNC(=O)C1=CC=CC=C1[N+](=O)[O-] |
Product Overview
N-(3-methylbutyl)-2-nitrobenzamide (CAS 349085-92-3), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: N-(3-methylbutyl)-2-nitrobenzamide.
Chemical Property Profile of N-(3-methylbutyl)-2-nitrobenzamide
Property Insights of N-(3-methylbutyl)-2-nitrobenzamide
The XLogP value of 2.3707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methylbutyl)-2-nitrobenzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-methylbutyl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(3-methylbutyl)-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-(3-methylbutyl)-2-nitrobenzamide?
The CAS number of N-(3-methylbutyl)-2-nitrobenzamide is 349085-92-3.
What is the molecular formula of N-(3-methylbutyl)-2-nitrobenzamide?
The molecular formula of N-(3-methylbutyl)-2-nitrobenzamide is C12H16N2O3.
What is the molecular weight of N-(3-methylbutyl)-2-nitrobenzamide?
The molecular weight of N-(3-methylbutyl)-2-nitrobenzamide is 236.12 g/mol.
Where can I buy N-(3-methylbutyl)-2-nitrobenzamide?
You can request a quote for N-(3-methylbutyl)-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-(3-methylbutyl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methylbutyl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.