1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one
TL;DR: 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one (CAS 255393-52-3) is a chemical compound with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethanone
Also Known As: Amino musk ketone, 2-Amino-musk xylene, J1.233.456G, 1-(3-amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethanone, 1-(3-amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one
| Molecular Formula | C14H20N2O3 |
|---|---|
| Molecular Weight | 264.15 g/mol |
| LogP | 3.29394 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.1474 |
| Heavy Atoms | 19 |
| Complexity | 569.2794 |
Chemical Identifiers
| CAS Number | 255393-52-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1N)C(C)(C)C)[N+](=O)[O-])C)C(=O)C |
Product Overview
1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one (CAS 255393-52-3), with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol. IUPAC: 1-(3-amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethanone.
Chemical Property Profile of 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one
Property Insights of 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one
The XLogP value of 3.29394 indicates that 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one. Following Lipinski's Rule of Five, 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one 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 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one?
The CAS number of 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one is 255393-52-3.
What is the molecular formula of 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one?
The molecular formula of 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one is C14H20N2O3.
What is the molecular weight of 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one?
The molecular weight of 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one is 264.15 g/mol.
Where can I buy 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one?
You can request a quote for 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Amino-4-tert-butyl-2,6-dimethyl-5-nitrophenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.