AB01310134-01
TL;DR: AB01310134-01 (CAS 879583-82-1) is a chemical compound with molecular formula C17H17ClN4O and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one
Also Known As: AB01310134-01, 4-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 4-[(4-chlorophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one, 4-(4-chlorobenzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5(4H)-one
| Molecular Formula | C17H17ClN4O |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 3.32824 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.1091 |
| Heavy Atoms | 23 |
| Complexity | 765.4304 |
Chemical Identifiers
| CAS Number | 879583-82-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C(=O)C(C(=N2)C)CC3=CC=C(C=C3)Cl)C |
Product Overview
AB01310134-01 (CAS 879583-82-1), with molecular formula C17H17ClN4O and molecular weight 328.11 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of AB01310134-01
Property Insights of AB01310134-01
The XLogP value of 3.32824 indicates that AB01310134-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.45 Ų, AB01310134-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01310134-01 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 AB01310134-01?
The CAS number of AB01310134-01 is 879583-82-1.
What is the molecular formula of AB01310134-01?
The molecular formula of AB01310134-01 is C17H17ClN4O.
What is the molecular weight of AB01310134-01?
The molecular weight of AB01310134-01 is 328.11 g/mol.
Where can I buy AB01310134-01?
You can request a quote for AB01310134-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01310134-01?
Yes, KEHONG BIO provides custom synthesis services for AB01310134-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.