![1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol structure](/static/products/2825/282522-47-8.webp)
1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol
TL;DR: 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol (CAS 282522-47-8) is a chemical compound with molecular formula C21H28N2O4 and molecular weight 372.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol
Also Known As: AI-981/09942013, 1-[benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol, 1-(benzyl(tert-butyl)amino)-3-(3-methyl-4-nitrophenoxy)propan-2-ol, 1-[benzyl(tert-butyl)amino]-3-{4-nitro-3-methylphenoxy}-2-propanol
| Molecular Formula | C21H28N2O4 |
|---|---|
| Molecular Weight | 372.20 g/mol |
| LogP | 3.94362 |
| Topological Polar Surface Area | 75.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.2049 |
| Heavy Atoms | 27 |
| Complexity | 756.5221 |
Chemical Identifiers
| CAS Number | 282522-47-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(CN(CC2=CC=CC=C2)C(C)(C)C)O)[N+](=O)[O-] |
Product Overview
1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol (CAS 282522-47-8), with molecular formula C21H28N2O4 and molecular weight 372.20 g/mol. IUPAC: 1-[benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol.
Chemical Property Profile of 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol
Property Insights of 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol
The XLogP value of 3.94362 indicates that 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol. Following Lipinski's Rule of Five, 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol has 1 hydrogen bond donor(s) and 5 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-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol?
The CAS number of 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol is 282522-47-8.
What is the molecular formula of 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol?
The molecular formula of 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol is C21H28N2O4.
What is the molecular weight of 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol?
The molecular weight of 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol is 372.20 g/mol.
Where can I buy 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol?
You can request a quote for 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-[Benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.