2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene
TL;DR: 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene (CAS 62030-37-9) is a chemical compound with molecular formula C9H9N9O12 and molecular weight 435.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis[methyl(nitro)amino]-2,4,6-trinitrophenyl]-N-methylnitramide
Also Known As: Ex253, 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene, J2.837.883A, 1,3,5-Trinitro-2,4,6-tris(methylnitroamino)benzene, 2,4,6,-Trinitro-1,3,5,-tris(methylnitramino)benzene
| Molecular Formula | C9H9N9O12 |
|---|---|
| Molecular Weight | 435.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 285.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.03708 |
| Heavy Atoms | 30 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 62030-37-9 |
|---|---|
| SMILES | CN(C1=C(C(=C(C(=C1[N+](=O)[O-])N(C)[N+](=O)[O-])[N+](=O)[O-])N(C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HHROXJLCXHZPFK-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene (CAS 62030-37-9), with molecular formula C9H9N9O12 and molecular weight 435.04 g/mol. IUPAC: N-[3,5-bis[methyl(nitro)amino]-2,4,6-trinitrophenyl]-N-methylnitramide.
Chemical Property Profile of 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene
Property Insights of 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene. The TPSA of 285.0 Ų indicates high polarity, suggesting 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene?
The CAS number of 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene is 62030-37-9.
What is the molecular formula of 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene?
The molecular formula of 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene is C9H9N9O12.
What is the molecular weight of 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene?
The molecular weight of 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene is 435.04 g/mol.
Where can I buy 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene?
You can request a quote for 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitro-1,3,5-tris(methylnitramino)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.