N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide
TL;DR: N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide (CAS 600127-80-8) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide
Also Known As: N-(2-FURYLMETHYL)-3-METHYL-2-NITROBENZAMIDE, N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide, N-(2-furylmethyl)(3-methyl-2-nitrophenyl)carboxamide
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.42622 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 605.1107 |
Chemical Identifiers
| CAS Number | 600127-80-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)NCC2=CC=CO2)[N+](=O)[O-] |
Product Overview
N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide (CAS 600127-80-8), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide.
Chemical Property Profile of N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide
Property Insights of N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide
The XLogP value of 2.42622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide has 1 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-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide?
The CAS number of N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide is 600127-80-8.
What is the molecular formula of N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide?
The molecular formula of N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide is C13H12N2O4.
What is the molecular weight of N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide?
The molecular weight of N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide is 260.08 g/mol.
Where can I buy N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide?
You can request a quote for N-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(furan-2-ylmethyl)-3-methyl-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.