S-3153-1-OH
TL;DR: S-3153-1-OH (CAS 188489-05-6) is a chemical compound with molecular formula C12H7ClF4N2O2 and molecular weight 322.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one
Also Known As: S-3153-1-OH, J2.093.538C, 2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-(trifluoromethyl)-3(2H)-pyridazinone, 2-[2-fluoro-4-chloro-5-hydroxyphenyl]4-methyl-5-trifluoromethylpyridazin-3-one, 2-(2-fluoro-4-chloro-5-hydroxyphenyl)-4-methyl-5-trifluoromethylpyridazin-3-on
| Molecular Formula | C12H7ClF4N2O2 |
|---|---|
| Molecular Weight | 322.01 g/mol |
| LogP | 3.05782 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.0132 |
| Heavy Atoms | 21 |
| Complexity | 771.0735 |
Chemical Identifiers
| CAS Number | 188489-05-6 |
|---|---|
| SMILES | CC1=C(C=NN(C1=O)C2=CC(=C(C=C2F)Cl)O)C(F)(F)F |
Product Overview
S-3153-1-OH (CAS 188489-05-6), with molecular formula C12H7ClF4N2O2 and molecular weight 322.01 g/mol. IUPAC: 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one.
Chemical Property Profile of S-3153-1-OH
Property Insights of S-3153-1-OH
The XLogP value of 3.05782 indicates that S-3153-1-OH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, S-3153-1-OH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-3153-1-OH has 1 hydrogen bond donor(s) and 3 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 S-3153-1-OH?
The CAS number of S-3153-1-OH is 188489-05-6.
What is the molecular formula of S-3153-1-OH?
The molecular formula of S-3153-1-OH is C12H7ClF4N2O2.
What is the molecular weight of S-3153-1-OH?
The molecular weight of S-3153-1-OH is 322.01 g/mol.
Where can I buy S-3153-1-OH?
You can request a quote for S-3153-1-OH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-3153-1-OH?
Yes, KEHONG BIO provides custom synthesis services for S-3153-1-OH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.