N-{3-tert-butyl-4-nitrophenyl}acetamide
TL;DR: N-{3-tert-butyl-4-nitrophenyl}acetamide (CAS 70634-29-6) 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-tert-butyl-4-nitrophenyl)acetamide
Also Known As: N-{3-tert-butyl-4-nitrophenyl}acetamide, N-{3-Tert-butyl-4-nitrophenyl}, N-(3-tert-butyl-4-nitrophenyl)acetamide, N-[3-(tert-butyl)-4-nitrophenyl]acetamide, AE-562/12222724
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.8507 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 461.3088 |
Chemical Identifiers
| CAS Number | 70634-29-6 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(C)(C)C |
Product Overview
N-{3-tert-butyl-4-nitrophenyl}acetamide (CAS 70634-29-6), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: N-(3-tert-butyl-4-nitrophenyl)acetamide.
Chemical Property Profile of N-{3-tert-butyl-4-nitrophenyl}acetamide
Property Insights of N-{3-tert-butyl-4-nitrophenyl}acetamide
The XLogP value of 2.8507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{3-tert-butyl-4-nitrophenyl}acetamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-tert-butyl-4-nitrophenyl}acetamide. Following Lipinski's Rule of Five, N-{3-tert-butyl-4-nitrophenyl}acetamide 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-tert-butyl-4-nitrophenyl}acetamide?
The CAS number of N-{3-tert-butyl-4-nitrophenyl}acetamide is 70634-29-6.
What is the molecular formula of N-{3-tert-butyl-4-nitrophenyl}acetamide?
The molecular formula of N-{3-tert-butyl-4-nitrophenyl}acetamide is C12H16N2O3.
What is the molecular weight of N-{3-tert-butyl-4-nitrophenyl}acetamide?
The molecular weight of N-{3-tert-butyl-4-nitrophenyl}acetamide is 236.12 g/mol.
Where can I buy N-{3-tert-butyl-4-nitrophenyl}acetamide?
You can request a quote for N-{3-tert-butyl-4-nitrophenyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-tert-butyl-4-nitrophenyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-tert-butyl-4-nitrophenyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.