EINECS 225-197-2
TL;DR: EINECS 225-197-2 (CAS 4709-94-8) is a chemical compound with molecular formula C18H14N6OS and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]-1H-pyrazol-3-one
Also Known As: 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)-, 4-((3-Phenyl-1,2,4-thiadiazol-5-yl)azo)-3-methyl-1-phenyl-4,5-dihydro-5-oxo-1H-pyrazole, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl)-, 2,4-Dihydro-5-methyl-2-phenyl-4-((3-phenyl-1,2,4-thiadiazol-5-yl)azo)-3H-pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-3H-pyrazol-3-one
| Molecular Formula | C18H14N6OS |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.09497 |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 4709-94-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=NC(=NS3)C4=CC=CC=C4 |
| InChIKey | CEPPFFUSGFFUDO-UHFFFAOYSA-N |
Product Overview
EINECS 225-197-2 (CAS 4709-94-8), with molecular formula C18H14N6OS and molecular weight 362.09 g/mol. IUPAC: 5-methyl-2-phenyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]-1H-pyrazol-3-one.
Chemical Property Profile of EINECS 225-197-2
Property Insights of EINECS 225-197-2
The XLogP value of 4.7 indicates that EINECS 225-197-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 225-197-2. Following Lipinski's Rule of Five, EINECS 225-197-2 has 1 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 EINECS 225-197-2?
The CAS number of EINECS 225-197-2 is 4709-94-8.
What is the molecular formula of EINECS 225-197-2?
The molecular formula of EINECS 225-197-2 is C18H14N6OS.
What is the molecular weight of EINECS 225-197-2?
The molecular weight of EINECS 225-197-2 is 362.09 g/mol.
Where can I buy EINECS 225-197-2?
You can request a quote for EINECS 225-197-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 225-197-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 225-197-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.