1-(1-甲基丙基)-2-硝基苯
TL;DR: 1-(1-甲基丙基)-2-硝基苯 (CAS 19370-34-4) 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-(1-甲基丙基)-2-硝基苯
1-butan-2-yl-2-nitrobenzene
Also Known As: 1-sec-Butyl-2-nitrobenzene, 1-(sec-Butyl)-2-nitrobenzene, sec-Butylnitrobenzene, 1-butan-2-yl-2-nitrobenzene, 1-(butan-2-yl)-2-nitrobenzene
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 19370-34-4 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | GMQQDASXGTUDPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-甲基丙基)-2-硝基苯 (CAS 19370-34-4), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 1-butan-2-yl-2-nitrobenzene.
Chemical Property Profile of 1-(1-甲基丙基)-2-硝基苯
Property Insights of 1-(1-甲基丙基)-2-硝基苯
The XLogP value of 3.9 indicates that 1-(1-甲基丙基)-2-硝基苯 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-(1-甲基丙基)-2-硝基苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-甲基丙基)-2-硝基苯 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-(1-甲基丙基)-2-硝基苯?
The CAS number of 1-(1-甲基丙基)-2-硝基苯 is 19370-34-4.
What is the molecular formula of 1-(1-甲基丙基)-2-硝基苯?
The molecular formula of 1-(1-甲基丙基)-2-硝基苯 is C10H13NO2.
What is the molecular weight of 1-(1-甲基丙基)-2-硝基苯?
The molecular weight of 1-(1-甲基丙基)-2-硝基苯 is 179.09 g/mol.
Where can I buy 1-(1-甲基丙基)-2-硝基苯?
You can request a quote for 1-(1-甲基丙基)-2-硝基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-甲基丙基)-2-硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-甲基丙基)-2-硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.