1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
TL;DR: 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol (CAS 375828-65-2) is a chemical compound with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
Also Known As: BAS 00700591, 1-(3-nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol, 2-(1-Methyl-3-phenyl-propylamino)-1-(3-nitro-phenyl)-ethanol, 1-(3-nitrophenyl)-2-((4-phenylbutan-2-yl)amino)ethanol, 1-(3-nitrophenyl)-2-[(4-phenylbutan-2-yl)amino]ethanol
| Molecular Formula | C18H22N2O3 |
|---|---|
| Molecular Weight | 314.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.16306 |
| Heavy Atoms | 23 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 375828-65-2 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NCC(C2=CC(=CC=C2)[N+](=O)[O-])O |
| InChIKey | OYQXFOCKMWBHCC-UHFFFAOYSA-N |
Product Overview
1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol (CAS 375828-65-2), with molecular formula C18H22N2O3 and molecular weight 314.16 g/mol. IUPAC: 1-(3-nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol.
Chemical Property Profile of 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
Property Insights of 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
The XLogP value of 3.2 indicates that 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol. Following Lipinski's Rule of Five, 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol has 2 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-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol?
The CAS number of 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol is 375828-65-2.
What is the molecular formula of 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol?
The molecular formula of 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol is C18H22N2O3.
What is the molecular weight of 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol?
The molecular weight of 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol is 314.16 g/mol.
Where can I buy 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol?
You can request a quote for 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitrophenyl)-2-(4-phenylbutan-2-ylamino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.