AB00404225-05
TL;DR: AB00404225-05 (CAS 1005041-59-7) is a chemical compound with molecular formula C13H11F5N2O3 and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-(3,4-difluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: AB00404225-05, F1168-0203, 5-acetyl-6-(3,4-difluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one, 5-acetyl-6-(3,4-difluorophenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C13H11F5N2O3 |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 1.7748 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.06897 |
| Heavy Atoms | 23 |
| Complexity | 663.50037 |
Chemical Identifiers
| CAS Number | 1005041-59-7 |
|---|---|
| SMILES | CC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC(=C(C=C2)F)F |
Product Overview
AB00404225-05 (CAS 1005041-59-7), with molecular formula C13H11F5N2O3 and molecular weight 338.07 g/mol. IUPAC: 5-acetyl-6-(3,4-difluorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of AB00404225-05
Property Insights of AB00404225-05
The XLogP value of 1.7748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00404225-05. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00404225-05. Following Lipinski's Rule of Five, AB00404225-05 has 3 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 AB00404225-05?
The CAS number of AB00404225-05 is 1005041-59-7.
What is the molecular formula of AB00404225-05?
The molecular formula of AB00404225-05 is C13H11F5N2O3.
What is the molecular weight of AB00404225-05?
The molecular weight of AB00404225-05 is 338.07 g/mol.
Where can I buy AB00404225-05?
You can request a quote for AB00404225-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00404225-05?
Yes, KEHONG BIO provides custom synthesis services for AB00404225-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.