Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-
TL;DR: Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- (CAS 943-15-7) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-nitro-4-propan-2-ylbenzene
Also Known As: 2-Nitro-p-cymene, 2-Nitro-4-cymene, 4-Isopropyl-1-methyl-2-nitrobenzene, 4-Isopropyl-2-nitrotoluene, p-Cymene, 2-nitro-
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 943-15-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)C)[N+](=O)[O-] |
| InChIKey | DRKFWQDBPGTSOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- (CAS 943-15-7), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 1-methyl-2-nitro-4-propan-2-ylbenzene.
Chemical Property Profile of Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-
Property Insights of Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-
The XLogP value of 3.2 indicates that Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- 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 Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-?
The CAS number of Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- is 943-15-7.
What is the molecular formula of Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-?
The molecular formula of Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- is C10H13NO2.
What is the molecular weight of Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-?
The molecular weight of Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- is 179.09 g/mol.
Where can I buy Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-?
You can request a quote for Benzene, 1-methyl-4-(1-methylethyl)-2-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-methyl-4-(1-methylethyl)-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.