1-Butyl-4-nitrobenzene
TL;DR: 1-Butyl-4-nitrobenzene (CAS 20651-75-6) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-nitrobenzene
Also Known As: 1-Butyl-4-nitrobenzene, Benzene, 1-butyl-4-nitro-, p-Nitrobutylbenzene, p-Butylnitrobenzene, 1-butyl-4-nitro-benzene
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 20651-75-6 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | JZRBCNLSIDKBMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butyl-4-nitrobenzene (CAS 20651-75-6), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 1-butyl-4-nitrobenzene.
Chemical Property Profile of 1-Butyl-4-nitrobenzene
Property Insights of 1-Butyl-4-nitrobenzene
The XLogP value of 4.0 indicates that 1-Butyl-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Butyl-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-4-nitrobenzene has 0 hydrogen bond donor(s) and 2 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-Butyl-4-nitrobenzene?
The CAS number of 1-Butyl-4-nitrobenzene is 20651-75-6.
What is the molecular formula of 1-Butyl-4-nitrobenzene?
The molecular formula of 1-Butyl-4-nitrobenzene is C10H13NO2.
What is the molecular weight of 1-Butyl-4-nitrobenzene?
The molecular weight of 1-Butyl-4-nitrobenzene is 179.09 g/mol.
Where can I buy 1-Butyl-4-nitrobenzene?
You can request a quote for 1-Butyl-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.