1-Nitro-4-tert-butyl-2,6-dimethylbenzene
TL;DR: 1-Nitro-4-tert-butyl-2,6-dimethylbenzene (CAS 68675-73-0) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-1,3-dimethyl-2-nitrobenzene
Also Known As: 5-(tert-butyl)-1,3-dimethyl-2-nitrobenzene, 5-tert-butyl-1,3-dimethyl-2-nitrobenzene, Maybridge1_006107, 1-nitro-4-tert-butyl-2,6-dimethylbenzene, 2-Ethyl-6-isopropylaniline
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 68675-73-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1[N+](=O)[O-])C)C(C)(C)C |
| InChIKey | NZAWLDGUWOQFQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-4-tert-butyl-2,6-dimethylbenzene (CAS 68675-73-0), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 5-tert-butyl-1,3-dimethyl-2-nitrobenzene.
Chemical Property Profile of 1-Nitro-4-tert-butyl-2,6-dimethylbenzene
Property Insights of 1-Nitro-4-tert-butyl-2,6-dimethylbenzene
The XLogP value of 4.2 indicates that 1-Nitro-4-tert-butyl-2,6-dimethylbenzene 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-Nitro-4-tert-butyl-2,6-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-4-tert-butyl-2,6-dimethylbenzene 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-Nitro-4-tert-butyl-2,6-dimethylbenzene?
The CAS number of 1-Nitro-4-tert-butyl-2,6-dimethylbenzene is 68675-73-0.
What is the molecular formula of 1-Nitro-4-tert-butyl-2,6-dimethylbenzene?
The molecular formula of 1-Nitro-4-tert-butyl-2,6-dimethylbenzene is C12H17NO2.
What is the molecular weight of 1-Nitro-4-tert-butyl-2,6-dimethylbenzene?
The molecular weight of 1-Nitro-4-tert-butyl-2,6-dimethylbenzene is 207.13 g/mol.
Where can I buy 1-Nitro-4-tert-butyl-2,6-dimethylbenzene?
You can request a quote for 1-Nitro-4-tert-butyl-2,6-dimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4-tert-butyl-2,6-dimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-tert-butyl-2,6-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.