5-硝基-2-丙氧基苯胺
TL;DR: 5-硝基-2-丙氧基苯胺 (CAS 553-79-7) is a chemical compound with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-硝基-2-丙氧基苯胺
5-nitro-2-propoxyaniline
Also Known As: 5-Nitro-2-propoxyaniline, Ultrasuess, Ultrasuss, Ultrasweet, Aros X
| Molecular Formula | C9H12N2O3 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0848 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
| Melting Point | 49 °C |
| Solubility | 0.136 mg/mL at 20 °C |
Chemical Identifiers
| CAS Number | 553-79-7 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)[N+](=O)[O-])N |
| InChIKey | RXQCEGOUSFBKPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-硝基-2-丙氧基苯胺 (CAS 553-79-7), with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol. IUPAC: 5-nitro-2-propoxyaniline.
Chemical Property Profile of 5-硝基-2-丙氧基苯胺
Property Insights of 5-硝基-2-丙氧基苯胺
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-硝基-2-丙氧基苯胺. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-硝基-2-丙氧基苯胺. Following Lipinski's Rule of Five, 5-硝基-2-丙氧基苯胺 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 5-硝基-2-丙氧基苯胺?
The CAS number of 5-硝基-2-丙氧基苯胺 is 553-79-7.
What is the molecular formula of 5-硝基-2-丙氧基苯胺?
The molecular formula of 5-硝基-2-丙氧基苯胺 is C9H12N2O3.
What is the molecular weight of 5-硝基-2-丙氧基苯胺?
The molecular weight of 5-硝基-2-丙氧基苯胺 is 196.08 g/mol.
Where can I buy 5-硝基-2-丙氧基苯胺?
You can request a quote for 5-硝基-2-丙氧基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-硝基-2-丙氧基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 5-硝基-2-丙氧基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.