2,5-Di-t-butylnitrobenzene
TL;DR: 2,5-Di-t-butylnitrobenzene (CAS 3463-35-2) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-ditert-butyl-2-nitrobenzene
Also Known As: 2,5-di-tert-Butylnitrobenzene, 1,4-Ditert-butyl-2-nitrobenzene, 2,5-Di-t-butylnitrobenzene, 1,4-di-tert-butyl-2-nitrobenzene, 2,5-Di-tert-buty-2-nitro-benzene
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 3463-35-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)[N+](=O)[O-] |
| InChIKey | LXBUSXRSPLOXCP-UHFFFAOYSA-N |
Product Overview
2,5-Di-t-butylnitrobenzene (CAS 3463-35-2), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: 1,4-ditert-butyl-2-nitrobenzene.
Chemical Property Profile of 2,5-Di-t-butylnitrobenzene
Property Insights of 2,5-Di-t-butylnitrobenzene
The XLogP value of 5.1 indicates that 2,5-Di-t-butylnitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2,5-Di-t-butylnitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Di-t-butylnitrobenzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Di-t-butylnitrobenzene?
The CAS number of 2,5-Di-t-butylnitrobenzene is 3463-35-2.
What is the molecular formula of 2,5-Di-t-butylnitrobenzene?
The molecular formula of 2,5-Di-t-butylnitrobenzene is C14H21NO2.
What is the molecular weight of 2,5-Di-t-butylnitrobenzene?
The molecular weight of 2,5-Di-t-butylnitrobenzene is 235.16 g/mol.
Where can I buy 2,5-Di-t-butylnitrobenzene?
You can request a quote for 2,5-Di-t-butylnitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Di-t-butylnitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Di-t-butylnitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.