NIOSH/UR6371000
TL;DR: NIOSH/UR6371000 (CAS 90060-90-5) is a chemical compound with molecular formula C13H13F3N2O2 and molecular weight 286.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one
Also Known As: NIOSH/UR6371000, 3(2H)-Pyridazinone, 4,5-dihydro-5-(hydroxy(3-(trifluoromethyl)phenyl)methyl)-6-methyl-, 4,5-Dihydro-5-(hydroxy(3-(trifluoromethyl)phenyl)methyl)-6-methyl-3(2H)-pyridazinone, Methyl-6 (trifluoromethyl-3' phenylhydroxymethyl)-5 dihydro-4,5(2H)pyridazinone-3 [French], Methyl-6 (trifluoromethyl-3' phenylhydroxymethyl)-5 dihydro-4,5(2H)pyridazinone-3
| Molecular Formula | C13H13F3N2O2 |
|---|---|
| Molecular Weight | 286.09 g/mol |
| LogP | 2.2508 |
| Topological Polar Surface Area | 61.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.09293 |
| Heavy Atoms | 20 |
| Complexity | 554.7924 |
Chemical Identifiers
| CAS Number | 90060-90-5 |
|---|---|
| SMILES | CC1=NNC(=O)CC1C(C2=CC(=CC=C2)C(F)(F)F)O |
Product Overview
NIOSH/UR6371000 (CAS 90060-90-5), with molecular formula C13H13F3N2O2 and molecular weight 286.09 g/mol. IUPAC: 4-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-3-methyl-4,5-dihydro-1H-pyridazin-6-one.
Chemical Property Profile of NIOSH/UR6371000
Property Insights of NIOSH/UR6371000
The XLogP value of 2.2508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NIOSH/UR6371000. The TPSA of 61.69 Ų falls within the moderate polarity range, balancing permeability and solubility for NIOSH/UR6371000. Following Lipinski's Rule of Five, NIOSH/UR6371000 has 2 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 NIOSH/UR6371000?
The CAS number of NIOSH/UR6371000 is 90060-90-5.
What is the molecular formula of NIOSH/UR6371000?
The molecular formula of NIOSH/UR6371000 is C13H13F3N2O2.
What is the molecular weight of NIOSH/UR6371000?
The molecular weight of NIOSH/UR6371000 is 286.09 g/mol.
Where can I buy NIOSH/UR6371000?
You can request a quote for NIOSH/UR6371000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NIOSH/UR6371000?
Yes, KEHONG BIO provides custom synthesis services for NIOSH/UR6371000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.