2-Nitro-5-propoxyaniline
TL;DR: 2-Nitro-5-propoxyaniline (CAS 113501-99-8) 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.
2-nitro-5-propoxyaniline
Also Known As: 2-nitro-5-propoxyaniline, 2-nitro-5-propoxyBenzenamine, Benzenamine, 2-nitro-5-propoxy-, 6-Nitro-3-propyloxy-anilin, AE-562/12222116
| Molecular Formula | C9H12N2O3 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 1.9658 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0848 |
| Heavy Atoms | 14 |
| Complexity | 338.82898 |
Chemical Identifiers
| CAS Number | 113501-99-8 |
|---|---|
| SMILES | CCCOC1=CC(=C(C=C1)[N+](=O)[O-])N |
Product Overview
2-Nitro-5-propoxyaniline (CAS 113501-99-8), with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol. IUPAC: 2-nitro-5-propoxyaniline.
Chemical Property Profile of 2-Nitro-5-propoxyaniline
Property Insights of 2-Nitro-5-propoxyaniline
The XLogP value of 1.9658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-5-propoxyaniline. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-5-propoxyaniline. Following Lipinski's Rule of Five, 2-Nitro-5-propoxyaniline 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 2-Nitro-5-propoxyaniline?
The CAS number of 2-Nitro-5-propoxyaniline is 113501-99-8.
What is the molecular formula of 2-Nitro-5-propoxyaniline?
The molecular formula of 2-Nitro-5-propoxyaniline is C9H12N2O3.
What is the molecular weight of 2-Nitro-5-propoxyaniline?
The molecular weight of 2-Nitro-5-propoxyaniline is 196.08 g/mol.
Where can I buy 2-Nitro-5-propoxyaniline?
You can request a quote for 2-Nitro-5-propoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-5-propoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-5-propoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.