Phenol, 3,5-diamino-2,4,6-trinitro-
TL;DR: Phenol, 3,5-diamino-2,4,6-trinitro- (CAS 56140-58-0) is a chemical compound with molecular formula C6H5N5O7 and molecular weight 259.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diamino-2,4,6-trinitrophenol
Also Known As: diaminopicric acid, BAKLII, 3,5-diamino-2,4,6-trinitrophenol, Phenol, 3,5-diamino-2,4,6-trinitro-, 2,4,6-Trinitro-3,5-diaminophenol
| Molecular Formula | C6H5N5O7 |
|---|---|
| Molecular Weight | 259.02 g/mol |
| LogP | 0.2812 |
| Topological Polar Surface Area | 201.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0189 |
| Heavy Atoms | 18 |
| Complexity | 480.15237 |
Chemical Identifiers
| CAS Number | 56140-58-0 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])N)[N+](=O)[O-])N |
Product Overview
Phenol, 3,5-diamino-2,4,6-trinitro- (CAS 56140-58-0), with molecular formula C6H5N5O7 and molecular weight 259.02 g/mol. IUPAC: 3,5-diamino-2,4,6-trinitrophenol.
Chemical Property Profile of Phenol, 3,5-diamino-2,4,6-trinitro-
Property Insights of Phenol, 3,5-diamino-2,4,6-trinitro-
The XLogP value of 0.2812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3,5-diamino-2,4,6-trinitro-. The TPSA of 201.69 Ų indicates high polarity, suggesting Phenol, 3,5-diamino-2,4,6-trinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol, 3,5-diamino-2,4,6-trinitro- has 3 hydrogen bond donor(s) and 9 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 Phenol, 3,5-diamino-2,4,6-trinitro-?
The CAS number of Phenol, 3,5-diamino-2,4,6-trinitro- is 56140-58-0.
What is the molecular formula of Phenol, 3,5-diamino-2,4,6-trinitro-?
The molecular formula of Phenol, 3,5-diamino-2,4,6-trinitro- is C6H5N5O7.
What is the molecular weight of Phenol, 3,5-diamino-2,4,6-trinitro-?
The molecular weight of Phenol, 3,5-diamino-2,4,6-trinitro- is 259.02 g/mol.
Where can I buy Phenol, 3,5-diamino-2,4,6-trinitro-?
You can request a quote for Phenol, 3,5-diamino-2,4,6-trinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3,5-diamino-2,4,6-trinitro-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3,5-diamino-2,4,6-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.