2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene
TL;DR: 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene (CAS 6184-17-4) is a chemical compound with molecular formula C11H13N3O7 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-methoxy-1,3,5-trinitrobenzene
Also Known As: 2-tert-butyl-4-methoxy-1,3,5-trinitrobenzene, 3-tert-butyl-2,4,6-trinitro-anisole, 1-tert-Butyl-3-methoxy-2,4,6-trinitrobenzene, Riboflavin 5?-monophosphate sodium salt hydrate, Riboflavin 5
| Molecular Formula | C11H13N3O7 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.07535 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 6184-17-4 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC)[N+](=O)[O-] |
| InChIKey | PCVDYIFRMYOZED-UHFFFAOYSA-N |
Product Overview
2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene (CAS 6184-17-4), with molecular formula C11H13N3O7 and molecular weight 299.08 g/mol. IUPAC: 2-tert-butyl-4-methoxy-1,3,5-trinitrobenzene.
Chemical Property Profile of 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene
Property Insights of 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene
The XLogP value of 3.1 indicates that 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene has 0 hydrogen bond donor(s) and 7 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 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene?
The CAS number of 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene is 6184-17-4.
What is the molecular formula of 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene?
The molecular formula of 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene is C11H13N3O7.
What is the molecular weight of 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene?
The molecular weight of 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene is 299.08 g/mol.
Where can I buy 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene?
You can request a quote for 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-4-methoxy-1,3,5-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.