Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate)
TL;DR: Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate) (CAS 89418-01-9) is a chemical compound with molecular formula C6H6N2O6S and molecular weight 233.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-4-nitrophenyl) hydrogen sulfate
Also Known As: 2-amino-4-nitro-1-sulfooxy-benzene, 2-Amino-4-nitrophenol sulfate, Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate), (2-amino-4-nitrophenyl) hydrogen sulfate, 2-Amino-4-nitrophenyl hydrogen sulfate
| Molecular Formula | C6H6N2O6S |
|---|---|
| Molecular Weight | 233.99 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.99466 |
| Heavy Atoms | 15 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 89418-01-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])N)OS(=O)(=O)O |
| InChIKey | HFJGSJDCVJCSMJ-UHFFFAOYSA-N |
Product Overview
Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate) (CAS 89418-01-9), with molecular formula C6H6N2O6S and molecular weight 233.99 g/mol. IUPAC: (2-amino-4-nitrophenyl) hydrogen sulfate.
Chemical Property Profile of Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate)
Property Insights of Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate)
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate). The TPSA of 144.0 Ų indicates high polarity, suggesting Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate) has 2 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 Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate)?
The CAS number of Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate) is 89418-01-9.
What is the molecular formula of Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate)?
The molecular formula of Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate) is C6H6N2O6S.
What is the molecular weight of Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate)?
The molecular weight of Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate) is 233.99 g/mol.
Where can I buy Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate)?
You can request a quote for Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-amino-4-nitro-, 1-(hydrogen sulfate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.