3,4-Diisobutoxy-nitrobenzol
TL;DR: 3,4-Diisobutoxy-nitrobenzol (CAS 5542-71-2) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(2-methylpropoxy)-4-nitrobenzene
Also Known As: 3,4-Diisobutoxy-nitrobenzol, 1,2-bis(2-methylpropoxy)-4-nitrobenzene
| Molecular Formula | C14H21NO4 |
|---|---|
| Molecular Weight | 267.15 g/mol |
| LogP | 3.6644 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 267.14706 |
| Heavy Atoms | 19 |
| Complexity | 429.4542 |
Chemical Identifiers
| CAS Number | 5542-71-2 |
|---|---|
| SMILES | CC(C)COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(C)C |
Product Overview
3,4-Diisobutoxy-nitrobenzol (CAS 5542-71-2), with molecular formula C14H21NO4 and molecular weight 267.15 g/mol. IUPAC: 1,2-bis(2-methylpropoxy)-4-nitrobenzene.
Chemical Property Profile of 3,4-Diisobutoxy-nitrobenzol
Property Insights of 3,4-Diisobutoxy-nitrobenzol
The XLogP value of 3.6644 indicates that 3,4-Diisobutoxy-nitrobenzol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Diisobutoxy-nitrobenzol. Following Lipinski's Rule of Five, 3,4-Diisobutoxy-nitrobenzol has 0 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 3,4-Diisobutoxy-nitrobenzol?
The CAS number of 3,4-Diisobutoxy-nitrobenzol is 5542-71-2.
What is the molecular formula of 3,4-Diisobutoxy-nitrobenzol?
The molecular formula of 3,4-Diisobutoxy-nitrobenzol is C14H21NO4.
What is the molecular weight of 3,4-Diisobutoxy-nitrobenzol?
The molecular weight of 3,4-Diisobutoxy-nitrobenzol is 267.15 g/mol.
Where can I buy 3,4-Diisobutoxy-nitrobenzol?
You can request a quote for 3,4-Diisobutoxy-nitrobenzol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diisobutoxy-nitrobenzol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diisobutoxy-nitrobenzol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.