PY-191:1
TL;DR: PY-191:1 (CAS 185252-52-2) is a chemical compound with molecular formula C17H15ClN4O7S2 and molecular weight 486.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
Also Known As: PY-191:1, J2.016.482D, 4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid, 4-(2-Sulfo-4-methyl-5-chlorophenylazo)-1-(3-sulfophenyl)-3-methyl-1H-pyrazole-5(4H)-one, 2-[1-(3-Sulfophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-ylazo]-4-chloro-5-methylbenzenesulfonic acid
| Molecular Formula | C17H15ClN4O7S2 |
|---|---|
| Molecular Weight | 486.01 g/mol |
| LogP | 3.01682 |
| Topological Polar Surface Area | 166.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.00708 |
| Heavy Atoms | 31 |
| Complexity | 1354.5302 |
Chemical Identifiers
| CAS Number | 185252-52-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)N=NC2C(=NN(C2=O)C3=CC(=CC=C3)S(=O)(=O)O)C)S(=O)(=O)O |
Product Overview
PY-191:1 (CAS 185252-52-2), with molecular formula C17H15ClN4O7S2 and molecular weight 486.01 g/mol. IUPAC: 4-chloro-5-methyl-2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid.
Chemical Property Profile of PY-191:1
Property Insights of PY-191:1
The XLogP value of 3.01682 indicates that PY-191:1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.13 Ų indicates high polarity, suggesting PY-191:1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PY-191:1 has 2 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 PY-191:1?
The CAS number of PY-191:1 is 185252-52-2.
What is the molecular formula of PY-191:1?
The molecular formula of PY-191:1 is C17H15ClN4O7S2.
What is the molecular weight of PY-191:1?
The molecular weight of PY-191:1 is 486.01 g/mol.
Where can I buy PY-191:1?
You can request a quote for PY-191:1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PY-191:1?
Yes, KEHONG BIO provides custom synthesis services for PY-191:1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.