AB01276420-01
TL;DR: AB01276420-01 (CAS 879616-00-9) is a chemical compound with molecular formula C18H20N4O and molecular weight 308.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)methyl]-4H-pyrazol-3-one
Also Known As: AB01276420-01, 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-(4-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one, 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(4-methylbenzyl)-1H-pyrazol-5(4H)-one, 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-[(4-methylphenyl)methyl]-2-pyrazolin -5-one, 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)methyl]-4H-pyrazol-3-one
| Molecular Formula | C18H20N4O |
|---|---|
| Molecular Weight | 308.16 g/mol |
| LogP | 2.98326 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.1637 |
| Heavy Atoms | 23 |
| Complexity | 759.85864 |
Chemical Identifiers
| CAS Number | 879616-00-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC2C(=NN(C2=O)C3=NC(=CC(=N3)C)C)C |
Product Overview
AB01276420-01 (CAS 879616-00-9), with molecular formula C18H20N4O and molecular weight 308.16 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)methyl]-4H-pyrazol-3-one.
Chemical Property Profile of AB01276420-01
Property Insights of AB01276420-01
The XLogP value of 2.98326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01276420-01. With a topological polar surface area (TPSA) of 58.45 Ų, AB01276420-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01276420-01 has 0 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 AB01276420-01?
The CAS number of AB01276420-01 is 879616-00-9.
What is the molecular formula of AB01276420-01?
The molecular formula of AB01276420-01 is C18H20N4O.
What is the molecular weight of AB01276420-01?
The molecular weight of AB01276420-01 is 308.16 g/mol.
Where can I buy AB01276420-01?
You can request a quote for AB01276420-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01276420-01?
Yes, KEHONG BIO provides custom synthesis services for AB01276420-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.