1-(1-甲基丁氧基)-4-硝基苯
TL;DR: 1-(1-甲基丁氧基)-4-硝基苯 (CAS 137873-52-0) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-甲基丁氧基)-4-硝基苯
1-nitro-4-pentan-2-yloxybenzene
Also Known As: Benzene, 1-(1-methylbutoxy)-4-nitro-, 1-nitro-4-pentan-2-yloxybenzene, 1-(1-Methylbutoxy)-4-nitrobenzene, 1-Nitro-4-[(pentan-2-yl)oxy]benzene, 1-NITRO-4-(PENTAN-2-YLOXY)BENZENE
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 137873-52-0 |
|---|---|
| SMILES | CCCC(C)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | NSFMUSRZPDMRQD-UHFFFAOYSA-N |
Product Overview
1-(1-甲基丁氧基)-4-硝基苯 (CAS 137873-52-0), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: 1-nitro-4-pentan-2-yloxybenzene.
Chemical Property Profile of 1-(1-甲基丁氧基)-4-硝基苯
Property Insights of 1-(1-甲基丁氧基)-4-硝基苯
The XLogP value of 3.7 indicates that 1-(1-甲基丁氧基)-4-硝基苯 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-(1-甲基丁氧基)-4-硝基苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-甲基丁氧基)-4-硝基苯 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-(1-甲基丁氧基)-4-硝基苯?
The CAS number of 1-(1-甲基丁氧基)-4-硝基苯 is 137873-52-0.
What is the molecular formula of 1-(1-甲基丁氧基)-4-硝基苯?
The molecular formula of 1-(1-甲基丁氧基)-4-硝基苯 is C11H15NO3.
What is the molecular weight of 1-(1-甲基丁氧基)-4-硝基苯?
The molecular weight of 1-(1-甲基丁氧基)-4-硝基苯 is 209.11 g/mol.
Where can I buy 1-(1-甲基丁氧基)-4-硝基苯?
You can request a quote for 1-(1-甲基丁氧基)-4-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-甲基丁氧基)-4-硝基苯?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-甲基丁氧基)-4-硝基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.