Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)-
TL;DR: Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)- (CAS 34210-02-1) is a chemical compound with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1,3-dinitro-2-[(E)-2-nitroethenyl]-5-propan-2-ylbenzene
Also Known As: trans-4-Isopropyl-3-methyl-beta,2,6-trinitrostyrene, Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)-, (Dinitro-2',6' methyl-3' isopropyl-4' phenyl)-1 nitro-2 ethylene, 4-Isopropyl-3-methyl-2,6-dinitro-1-[(E)-2-nitrovinyl]benzene, 4-Isopropyl-3-methyl-2,6-dinitro-1-[ -2-nitrovinyl]benzene
| Molecular Formula | C12H13N3O6 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 3.18222 |
| Topological Polar Surface Area | 129.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.08044 |
| Heavy Atoms | 21 |
| Complexity | 650.8831 |
Chemical Identifiers
| CAS Number | 34210-02-1 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1C(C)C)[N+](=O)[O-])/C=C/[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)- (CAS 34210-02-1), with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol. IUPAC: 4-methyl-1,3-dinitro-2-[(E)-2-nitroethenyl]-5-propan-2-ylbenzene.
Chemical Property Profile of Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)-
Property Insights of Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)-
The XLogP value of 3.18222 indicates that Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)-. Following Lipinski's Rule of Five, Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)- has 0 hydrogen bond donor(s) and 6 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 Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)-?
The CAS number of Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)- is 34210-02-1.
What is the molecular formula of Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)-?
The molecular formula of Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)- is C12H13N3O6.
What is the molecular weight of Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)-?
The molecular weight of Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)- is 295.08 g/mol.
Where can I buy Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)-?
You can request a quote for Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Styrene, 4-isopropyl-3-methyl-beta,2,6-trinitro-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.