Benzene, 1-(1-methylethyl)-2,4-dinitro-
TL;DR: Benzene, 1-(1-methylethyl)-2,4-dinitro- (CAS 89-07-6) is a chemical compound with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-1-propan-2-ylbenzene
Also Known As: 2,4-Dinitrocumene, 2,4-dinitrocumen, Benzene, 1-(1-methylethyl)-2,4-dinitro-, 2,4-dinitro-1-propan-2-ylbenzene, 2,4-Dinitro-1-(propan-2-yl)benzene
| Molecular Formula | C9H10N2O4 |
|---|---|
| Molecular Weight | 210.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.06406 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 89-07-6 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | BAWGGSYXBBWRAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(1-methylethyl)-2,4-dinitro- (CAS 89-07-6), with molecular formula C9H10N2O4 and molecular weight 210.06 g/mol. IUPAC: 2,4-dinitro-1-propan-2-ylbenzene.
Chemical Property Profile of Benzene, 1-(1-methylethyl)-2,4-dinitro-
Property Insights of Benzene, 1-(1-methylethyl)-2,4-dinitro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(1-methylethyl)-2,4-dinitro-. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-(1-methylethyl)-2,4-dinitro-. Following Lipinski's Rule of Five, Benzene, 1-(1-methylethyl)-2,4-dinitro- 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 Benzene, 1-(1-methylethyl)-2,4-dinitro-?
The CAS number of Benzene, 1-(1-methylethyl)-2,4-dinitro- is 89-07-6.
What is the molecular formula of Benzene, 1-(1-methylethyl)-2,4-dinitro-?
The molecular formula of Benzene, 1-(1-methylethyl)-2,4-dinitro- is C9H10N2O4.
What is the molecular weight of Benzene, 1-(1-methylethyl)-2,4-dinitro-?
The molecular weight of Benzene, 1-(1-methylethyl)-2,4-dinitro- is 210.06 g/mol.
Where can I buy Benzene, 1-(1-methylethyl)-2,4-dinitro-?
You can request a quote for Benzene, 1-(1-methylethyl)-2,4-dinitro- 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-methylethyl)-2,4-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(1-methylethyl)-2,4-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.