PHPS1
TL;DR: PHPS1 (CAS 314291-83-3) is a chemical compound with molecular formula C21H15N5O6S and molecular weight 465.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-nitrophenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
Also Known As: starbld0000784, PHPS1 sodium salt hydrate, PTP Inhibitor V, PHPS1, PHPS1; PHPS 1; PHPS-1, phenylhydrazonopyrazolone sulfonate 1
| Molecular Formula | C21H15N5O6S |
|---|---|
| Molecular Weight | 465.07 g/mol |
| LogP | 4.4029 |
| Topological Polar Surface Area | 160.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.0743 |
| Heavy Atoms | 33 |
| Complexity | 1506.371 |
Chemical Identifiers
| CAS Number | 314291-83-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)O |
Product Overview
PHPS1 (CAS 314291-83-3), with molecular formula C21H15N5O6S and molecular weight 465.07 g/mol. IUPAC: 4-[[5-(4-nitrophenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid.
Chemical Property Profile of PHPS1
Property Insights of PHPS1
The XLogP value of 4.4029 indicates that PHPS1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.02 Ų indicates high polarity, suggesting PHPS1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PHPS1 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 PHPS1?
The CAS number of PHPS1 is 314291-83-3.
What is the molecular formula of PHPS1?
The molecular formula of PHPS1 is C21H15N5O6S.
What is the molecular weight of PHPS1?
The molecular weight of PHPS1 is 465.07 g/mol.
Where can I buy PHPS1?
You can request a quote for PHPS1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PHPS1?
Yes, KEHONG BIO provides custom synthesis services for PHPS1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.