N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide
TL;DR: N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide (CAS 349616-63-3) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide
Also Known As: N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide, N-(2-methoxy-isopropyl)(4-methyl-3-nitrophenyl)carboxamide, N-(2-METHOXY-1-METHYLETHYL)-4-METHYL-3-NITROBENZAMIDE
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 1.66792 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 459.3907 |
Chemical Identifiers
| CAS Number | 349616-63-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(C)COC)[N+](=O)[O-] |
Product Overview
N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide (CAS 349616-63-3), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide.
Chemical Property Profile of N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide
Property Insights of N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide
The XLogP value of 1.66792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(1-methoxypropan-2-yl)-4-methyl-3-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-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide?
The CAS number of N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide is 349616-63-3.
What is the molecular formula of N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide?
The molecular formula of N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide is C12H16N2O4.
What is the molecular weight of N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide?
The molecular weight of N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide is 252.11 g/mol.
Where can I buy N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide?
You can request a quote for N-(1-methoxypropan-2-yl)-4-methyl-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-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.