BAS 11216049
TL;DR: BAS 11216049 (CAS 774562-29-7) is a chemical compound with molecular formula C17H18N4OS and molecular weight 326.12 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-[(4-methylphenyl)sulfanylmethyl]-4H-pyrazol-3-one
Also Known As: BAS 11216049, 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one, 1-(4,6-dimethylpyrimidin-2-yl)-3-((p-tolylthio)methyl)-1H-pyrazol-5(4H)-one, 1-(4,6-dimethylpyrimidin-2-yl)-3-[(4-methylphenylthio)methyl]-2-pyrazolin-5-on e, 2-(4,6-dimethylpyrimidin-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-4H-pyrazol-3-one
| Molecular Formula | C17H18N4OS |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 3.28686 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.12012 |
| Heavy Atoms | 23 |
| Complexity | 750.4129 |
Chemical Identifiers
| CAS Number | 774562-29-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN(C(=O)C2)C3=NC(=CC(=N3)C)C |
Product Overview
BAS 11216049 (CAS 774562-29-7), with molecular formula C17H18N4OS and molecular weight 326.12 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-4H-pyrazol-3-one.
Chemical Property Profile of BAS 11216049
Property Insights of BAS 11216049
The XLogP value of 3.28686 indicates that BAS 11216049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.45 Ų, BAS 11216049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 11216049 has 0 hydrogen bond donor(s) and 5 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 BAS 11216049?
The CAS number of BAS 11216049 is 774562-29-7.
What is the molecular formula of BAS 11216049?
The molecular formula of BAS 11216049 is C17H18N4OS.
What is the molecular weight of BAS 11216049?
The molecular weight of BAS 11216049 is 326.12 g/mol.
Where can I buy BAS 11216049?
You can request a quote for BAS 11216049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11216049?
Yes, KEHONG BIO provides custom synthesis services for BAS 11216049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.