Anthracene, compd. with 2,4,6-trinitrotoluene
TL;DR: Anthracene, compd. with 2,4,6-trinitrotoluene (CAS 7061-53-2) is a chemical compound with molecular formula C29H24N4O5S and molecular weight 540.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-[3-(4-nitrophenyl)prop-2-enylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Also Known As: Anthracene, compd. with 2,4,6-trinitrotoluene, Anthracene, compd. with 2-methyl-1,3,5-trinitrobenzene, 7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-[3-(4-nitrophenyl)prop-2-enylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide, 7-Methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-[3-(4-nitrophenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
| Molecular Formula | C29H24N4O5S |
|---|---|
| Molecular Weight | 540.15 g/mol |
| LogP | 4.65704 |
| Topological Polar Surface Area | 119.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 540.1467 |
| Heavy Atoms | 39 |
| Complexity | 1840.8643 |
Chemical Identifiers
| CAS Number | 7061-53-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(N=C3N(C2C4=CC=C(O4)C)C(=O)C(=CC=CC5=CC=C(C=C5)[N+](=O)[O-])S3)C |
Product Overview
Anthracene, compd. with 2,4,6-trinitrotoluene (CAS 7061-53-2), with molecular formula C29H24N4O5S and molecular weight 540.15 g/mol. IUPAC: 7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-2-[3-(4-nitrophenyl)prop-2-enylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
Chemical Property Profile of Anthracene, compd. with 2,4,6-trinitrotoluene
Property Insights of Anthracene, compd. with 2,4,6-trinitrotoluene
The XLogP value of 4.65704 indicates that Anthracene, compd. with 2,4,6-trinitrotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Anthracene, compd. with 2,4,6-trinitrotoluene. Following Lipinski's Rule of Five, Anthracene, compd. with 2,4,6-trinitrotoluene has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anthracene, compd. with 2,4,6-trinitrotoluene?
The CAS number of Anthracene, compd. with 2,4,6-trinitrotoluene is 7061-53-2.
What is the molecular formula of Anthracene, compd. with 2,4,6-trinitrotoluene?
The molecular formula of Anthracene, compd. with 2,4,6-trinitrotoluene is C29H24N4O5S.
What is the molecular weight of Anthracene, compd. with 2,4,6-trinitrotoluene?
The molecular weight of Anthracene, compd. with 2,4,6-trinitrotoluene is 540.15 g/mol.
Where can I buy Anthracene, compd. with 2,4,6-trinitrotoluene?
You can request a quote for Anthracene, compd. with 2,4,6-trinitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthracene, compd. with 2,4,6-trinitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for Anthracene, compd. with 2,4,6-trinitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.