phenol, p-nitro-, calcium salt
TL;DR: phenol, p-nitro-, calcium salt (CAS 34005-60-2) is a chemical compound with molecular formula C12H8CaN2O6 and molecular weight 316.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(4-nitrophenolate)
Also Known As: p-Nitrophenol calcium salt, calcium 4-nitrophenolate, Phenol, p-nitro-, calcium salt, calcium,4-nitrophenolate, calcium bis(4-nitrophenolate)
| Molecular Formula | C12H8CaN2O6 |
|---|---|
| Molecular Weight | 316.00 g/mol |
| LogP | 0.96 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 316.00082 |
| Heavy Atoms | 21 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 34005-60-2 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])[O-].C1=CC(=CC=C1[N+](=O)[O-])[O-].[Ca+2] |
| InChIKey | IELLGWCBQATIRX-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
phenol, p-nitro-, calcium salt (CAS 34005-60-2), with molecular formula C12H8CaN2O6 and molecular weight 316.00 g/mol. IUPAC: calcium bis(4-nitrophenolate).
Chemical Property Profile of phenol, p-nitro-, calcium salt
Property Insights of phenol, p-nitro-, calcium salt
The XLogP value of 0.96 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenol, p-nitro-, calcium salt. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for phenol, p-nitro-, calcium salt. Following Lipinski's Rule of Five, phenol, p-nitro-, calcium salt has 0 hydrogen bond donor(s) and 6 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, p-nitro-, calcium salt?
The CAS number of phenol, p-nitro-, calcium salt is 34005-60-2.
What is the molecular formula of phenol, p-nitro-, calcium salt?
The molecular formula of phenol, p-nitro-, calcium salt is C12H8CaN2O6.
What is the molecular weight of phenol, p-nitro-, calcium salt?
The molecular weight of phenol, p-nitro-, calcium salt is 316.00 g/mol.
Where can I buy phenol, p-nitro-, calcium salt?
You can request a quote for phenol, p-nitro-, calcium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenol, p-nitro-, calcium salt?
Yes, KEHONG BIO provides custom synthesis services for phenol, p-nitro-, calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.