1-Butoxy-2-nitrobenzene
TL;DR: 1-Butoxy-2-nitrobenzene (CAS 939-16-2) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxy-2-nitrobenzene
Also Known As: 1-Butoxy-2-nitrobenzene, Benzene, 1-butoxy-2-nitro-, o-n-butoxynitrobenzene, o-Nitrophenylbutylether, 1-butoxy-2-nitro-benzene
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 939-16-2 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | VOCILNVWSWTHNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butoxy-2-nitrobenzene (CAS 939-16-2), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: 1-butoxy-2-nitrobenzene.
Chemical Property Profile of 1-Butoxy-2-nitrobenzene
Property Insights of 1-Butoxy-2-nitrobenzene
The XLogP value of 3.0 indicates that 1-Butoxy-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Butoxy-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxy-2-nitrobenzene has 0 hydrogen bond donor(s) and 3 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-Butoxy-2-nitrobenzene?
The CAS number of 1-Butoxy-2-nitrobenzene is 939-16-2.
What is the molecular formula of 1-Butoxy-2-nitrobenzene?
The molecular formula of 1-Butoxy-2-nitrobenzene is C10H13NO3.
What is the molecular weight of 1-Butoxy-2-nitrobenzene?
The molecular weight of 1-Butoxy-2-nitrobenzene is 195.09 g/mol.
Where can I buy 1-Butoxy-2-nitrobenzene?
You can request a quote for 1-Butoxy-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.