Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro-
TL;DR: Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro- (CAS 71850-79-8) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-2-methoxy-4-methyl-5-nitrobenzene
Also Known As: 4-tert-Butyl-5-methoxy-2-nitrotoluene, 1-tert-butyl-2-methoxy-4-methyl-5-nitrobenzene, 1-(1,1-Dimethylethyl)-2-methoxy-4-methyl-5-nitrobenzene, 2-tert-butyl-5-methyl-4-nitro-anisole, Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro-
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 3.20932 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 419.00742 |
Chemical Identifiers
| CAS Number | 71850-79-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])C(C)(C)C)OC |
Product Overview
Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro- (CAS 71850-79-8), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 1-tert-butyl-2-methoxy-4-methyl-5-nitrobenzene.
Chemical Property Profile of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro-
Property Insights of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro-
The XLogP value of 3.20932 indicates that Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro- 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 Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro-?
The CAS number of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro- is 71850-79-8.
What is the molecular formula of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro-?
The molecular formula of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro- is C12H17NO3.
What is the molecular weight of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro-?
The molecular weight of Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro- is 223.12 g/mol.
Where can I buy Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro-?
You can request a quote for Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.