AB00080839-01
TL;DR: AB00080839-01 (CAS 371946-59-7) is a chemical compound with molecular formula C12H7ClF3N3O3 and molecular weight 333.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
Also Known As: AB00080839-01, 5-{[4-chloro-3-(trifluoromethyl)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(((4-chloro-3-(trifluoromethyl)phenyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-({[4-chloro-3-(trifluoromethyl)phenyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[4-chloro-3-(trifluoromethyl)anilino]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C12H7ClF3N3O3 |
|---|---|
| Molecular Weight | 333.01 g/mol |
| LogP | 2.1916 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.01282 |
| Heavy Atoms | 22 |
| Complexity | 855.1608 |
Chemical Identifiers
| CAS Number | 371946-59-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=CC2=C(NC(=O)NC2=O)O)C(F)(F)F)Cl |
Product Overview
AB00080839-01 (CAS 371946-59-7), with molecular formula C12H7ClF3N3O3 and molecular weight 333.01 g/mol. IUPAC: 5-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
Chemical Property Profile of AB00080839-01
Property Insights of AB00080839-01
The XLogP value of 2.1916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00080839-01. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00080839-01. Following Lipinski's Rule of Five, AB00080839-01 has 3 hydrogen bond donor(s) and 4 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 AB00080839-01?
The CAS number of AB00080839-01 is 371946-59-7.
What is the molecular formula of AB00080839-01?
The molecular formula of AB00080839-01 is C12H7ClF3N3O3.
What is the molecular weight of AB00080839-01?
The molecular weight of AB00080839-01 is 333.01 g/mol.
Where can I buy AB00080839-01?
You can request a quote for AB00080839-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00080839-01?
Yes, KEHONG BIO provides custom synthesis services for AB00080839-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.