Anthracene 1,3,5-trinitrobenzene
TL;DR: Anthracene 1,3,5-trinitrobenzene (CAS 1700-13-6) is a chemical compound with molecular formula C20H13N3O6 and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
anthracene;1,3,5-trinitrobenzene
Also Known As: Anthracene 1,3,5-trinitrobenzene, Anthracene-s-trinitrobenzene, Anthracene 1,5-trinitrobenzene, anthracene,1,3,5-trinitrobenzene, anthracene; 1,3,5-trinitrobenzene
| Molecular Formula | C20H13N3O6 |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 5.4042 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 391.08044 |
| Heavy Atoms | 29 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 1700-13-6 |
|---|---|
| SMILES | C1=CC=C2C=C3C=CC=CC3=CC2=C1.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QSFNLDKSQQZSOS-UHFFFAOYSA-N |
Product Overview
Anthracene 1,3,5-trinitrobenzene (CAS 1700-13-6), with molecular formula C20H13N3O6 and molecular weight 391.08 g/mol. IUPAC: anthracene;1,3,5-trinitrobenzene.
Chemical Property Profile of Anthracene 1,3,5-trinitrobenzene
Property Insights of Anthracene 1,3,5-trinitrobenzene
The XLogP value of 5.4042 indicates that Anthracene 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 Anthracene 1,3,5-trinitrobenzene. Following Lipinski's Rule of Five, Anthracene 1,3,5-trinitrobenzene has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anthracene 1,3,5-trinitrobenzene?
The CAS number of Anthracene 1,3,5-trinitrobenzene is 1700-13-6.
What is the molecular formula of Anthracene 1,3,5-trinitrobenzene?
The molecular formula of Anthracene 1,3,5-trinitrobenzene is C20H13N3O6.
What is the molecular weight of Anthracene 1,3,5-trinitrobenzene?
The molecular weight of Anthracene 1,3,5-trinitrobenzene is 391.08 g/mol.
Where can I buy Anthracene 1,3,5-trinitrobenzene?
You can request a quote for Anthracene 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 Anthracene 1,3,5-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for Anthracene 1,3,5-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.