2-(2,4,6-Trinitrophenoxy)cyclohexanol
TL;DR: 2-(2,4,6-Trinitrophenoxy)cyclohexanol (CAS 98966-21-3) is a chemical compound with molecular formula C12H13N3O8 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trinitrophenoxy)cyclohexan-1-ol
Also Known As: 2-(2,4,6-trinitrophenoxy)cyclohexanol, 2-(2,4,6-trinitrophenoxy)cyclohexan-1-ol
| Molecular Formula | C12H13N3O8 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.0935 |
| Topological Polar Surface Area | 158.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.07025 |
| Heavy Atoms | 23 |
| Complexity | 626.70105 |
Chemical Identifiers
| CAS Number | 98966-21-3 |
|---|---|
| SMILES | C1CCC(C(C1)O)OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(2,4,6-Trinitrophenoxy)cyclohexanol (CAS 98966-21-3), with molecular formula C12H13N3O8 and molecular weight 327.07 g/mol. IUPAC: 2-(2,4,6-trinitrophenoxy)cyclohexan-1-ol.
Chemical Property Profile of 2-(2,4,6-Trinitrophenoxy)cyclohexanol
Property Insights of 2-(2,4,6-Trinitrophenoxy)cyclohexanol
The XLogP value of 2.0935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4,6-Trinitrophenoxy)cyclohexanol. The TPSA of 158.88 Ų indicates high polarity, suggesting 2-(2,4,6-Trinitrophenoxy)cyclohexanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2,4,6-Trinitrophenoxy)cyclohexanol has 1 hydrogen bond donor(s) and 8 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 2-(2,4,6-Trinitrophenoxy)cyclohexanol?
The CAS number of 2-(2,4,6-Trinitrophenoxy)cyclohexanol is 98966-21-3.
What is the molecular formula of 2-(2,4,6-Trinitrophenoxy)cyclohexanol?
The molecular formula of 2-(2,4,6-Trinitrophenoxy)cyclohexanol is C12H13N3O8.
What is the molecular weight of 2-(2,4,6-Trinitrophenoxy)cyclohexanol?
The molecular weight of 2-(2,4,6-Trinitrophenoxy)cyclohexanol is 327.07 g/mol.
Where can I buy 2-(2,4,6-Trinitrophenoxy)cyclohexanol?
You can request a quote for 2-(2,4,6-Trinitrophenoxy)cyclohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4,6-Trinitrophenoxy)cyclohexanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4,6-Trinitrophenoxy)cyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.