3-(2,4,6-Trinitrophenoxy)propane-1,2-diol
TL;DR: 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol (CAS 31788-34-8) is a chemical compound with molecular formula C9H9N3O9 and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4,6-trinitrophenoxy)propane-1,2-diol
Also Known As: 3-(2,4,6-trinitrophenoxy)propane-1,2-diol, 1,2-PROPANEDIOL,3-(2,4,6-TRINITROPHENOXY)-
| Molecular Formula | C9H9N3O9 |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.03387 |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 31788-34-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])OCC(CO)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LEEUBRSBSFSCOR-UHFFFAOYSA-N |
Product Overview
3-(2,4,6-Trinitrophenoxy)propane-1,2-diol (CAS 31788-34-8), with molecular formula C9H9N3O9 and molecular weight 303.03 g/mol. IUPAC: 3-(2,4,6-trinitrophenoxy)propane-1,2-diol.
Chemical Property Profile of 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol
Property Insights of 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol. The TPSA of 187.0 Ų indicates high polarity, suggesting 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol has 2 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 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol?
The CAS number of 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol is 31788-34-8.
What is the molecular formula of 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol?
The molecular formula of 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol is C9H9N3O9.
What is the molecular weight of 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol?
The molecular weight of 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol is 303.03 g/mol.
Where can I buy 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol?
You can request a quote for 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4,6-Trinitrophenoxy)propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.