Guanidine, 1,1,3-tris(p-nitrophenyl)-
TL;DR: Guanidine, 1,1,3-tris(p-nitrophenyl)- (CAS 63885-30-3) is a chemical compound with molecular formula C19H14N6O6 and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2-tris(4-nitrophenyl)guanidine
Also Known As: USAF A-12822, 1,1,3-Tris guanidine, alpha-Tris-(p-nitrophenyl)guanidine, 1,1,2-tris(4-nitrophenyl)guanidine, GUANIDINE, 1,1,3-TRIS(p-NITROPHENYL)-
| Molecular Formula | C19H14N6O6 |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.09747 |
| Heavy Atoms | 31 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 63885-30-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C(N)N(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | INZPARAGSKYHAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guanidine, 1,1,3-tris(p-nitrophenyl)- (CAS 63885-30-3), with molecular formula C19H14N6O6 and molecular weight 422.10 g/mol. IUPAC: 1,1,2-tris(4-nitrophenyl)guanidine.
Chemical Property Profile of Guanidine, 1,1,3-tris(p-nitrophenyl)-
Property Insights of Guanidine, 1,1,3-tris(p-nitrophenyl)-
The XLogP value of 3.6 indicates that Guanidine, 1,1,3-tris(p-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting Guanidine, 1,1,3-tris(p-nitrophenyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Guanidine, 1,1,3-tris(p-nitrophenyl)- has 1 hydrogen bond donor(s) and 7 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 Guanidine, 1,1,3-tris(p-nitrophenyl)-?
The CAS number of Guanidine, 1,1,3-tris(p-nitrophenyl)- is 63885-30-3.
What is the molecular formula of Guanidine, 1,1,3-tris(p-nitrophenyl)-?
The molecular formula of Guanidine, 1,1,3-tris(p-nitrophenyl)- is C19H14N6O6.
What is the molecular weight of Guanidine, 1,1,3-tris(p-nitrophenyl)-?
The molecular weight of Guanidine, 1,1,3-tris(p-nitrophenyl)- is 422.10 g/mol.
Where can I buy Guanidine, 1,1,3-tris(p-nitrophenyl)-?
You can request a quote for Guanidine, 1,1,3-tris(p-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidine, 1,1,3-tris(p-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Guanidine, 1,1,3-tris(p-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.