Einecs 251-344-5
TL;DR: Einecs 251-344-5 (CAS 33012-29-2) is a chemical compound with molecular formula C12H8N8O12 and molecular weight 456.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium [2,4,6-trinitro-3-(2,4,6-trinitrophenyl)cyclohexa-2,5-dien-1-ylidene]azanide
Also Known As: Aurantia, SIENNA ORANGE, Ammonium 2,4,6-trinitrophenyl-N-(2,4,6-trinitrocyclohexa-2,5-dien-1-ylidene)amide, ammonium 2,4,6-trinitro-3-(2,4,6-trinitrophenyl)cyclohexa-2,5-dien-1-iminide, azanium [2,4,6-trinitro-3-(2,4,6-trinitrophenyl)cyclohexa-2,5-dien-1-ylidene]azanide
| Molecular Formula | C12H8N8O12 |
|---|---|
| Molecular Weight | 456.03 g/mol |
| LogP | 1.6051 |
| Topological Polar Surface Area | 277.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 1 |
| Exact Mass | 456.02615 |
| Heavy Atoms | 32 |
| Complexity | 929.0 |
Chemical Identifiers
| CAS Number | 33012-29-2 |
|---|---|
| SMILES | C1=C(C(=[N-])C(=C(C1[N+](=O)[O-])C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[NH4+] |
| InChIKey | FNQHNKWHKUALED-UHFFFAOYSA-O |
Product Overview
Einecs 251-344-5 (CAS 33012-29-2), with molecular formula C12H8N8O12 and molecular weight 456.03 g/mol. IUPAC: azanium [2,4,6-trinitro-3-(2,4,6-trinitrophenyl)cyclohexa-2,5-dien-1-ylidene]azanide.
Chemical Property Profile of Einecs 251-344-5
Property Insights of Einecs 251-344-5
The XLogP value of 1.6051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 251-344-5. The TPSA of 277.0 Ų indicates high polarity, suggesting Einecs 251-344-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 251-344-5 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 251-344-5?
The CAS number of Einecs 251-344-5 is 33012-29-2.
What is the molecular formula of Einecs 251-344-5?
The molecular formula of Einecs 251-344-5 is C12H8N8O12.
What is the molecular weight of Einecs 251-344-5?
The molecular weight of Einecs 251-344-5 is 456.03 g/mol.
Where can I buy Einecs 251-344-5?
You can request a quote for Einecs 251-344-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 251-344-5?
Yes, KEHONG BIO provides custom synthesis services for Einecs 251-344-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.