2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene
TL;DR: 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene (CAS 89533-16-4) is a chemical compound with molecular formula C10H10ClN3O6 and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-chloro-1,3,5-trinitrobenzene
Also Known As: NCIOpen2_008585, 2-tert-butyl-4-chloro-1,3,5-trinitrobenzene, 1-Chlor-3-t-butyl-2,4,6-trinitrobenzol, Benzene,2-chloro-4-(1,1-dimethylethyl)-1,3,5-trinitro-
| Molecular Formula | C10H10ClN3O6 |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 303.02582 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 89533-16-4 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-] |
| InChIKey | MPUMCCYZSQBTQW-UHFFFAOYSA-N |
Product Overview
2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene (CAS 89533-16-4), with molecular formula C10H10ClN3O6 and molecular weight 303.03 g/mol. IUPAC: 2-tert-butyl-4-chloro-1,3,5-trinitrobenzene.
Chemical Property Profile of 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene
Property Insights of 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene
The XLogP value of 3.7 indicates that 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene. Following Lipinski's Rule of Five, 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene 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 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene?
The CAS number of 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene is 89533-16-4.
What is the molecular formula of 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene?
The molecular formula of 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene is C10H10ClN3O6.
What is the molecular weight of 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene?
The molecular weight of 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene is 303.03 g/mol.
Where can I buy 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene?
You can request a quote for 2-Tert-butyl-4-chloro-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-chloro-1,3,5-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.