1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one
TL;DR: 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one (CAS 930689-47-7) is a chemical compound with molecular formula C21H28N4OS and molecular weight 384.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one
Also Known As: 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one, 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one, 1-(4-benzylpiperazin-1-yl)-3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propan-1-one
| Molecular Formula | C21H28N4OS |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 3.09234 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.1984 |
| Heavy Atoms | 27 |
| Complexity | 750.0011 |
Chemical Identifiers
| CAS Number | 930689-47-7 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3 |
Product Overview
1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one (CAS 930689-47-7), with molecular formula C21H28N4OS and molecular weight 384.20 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one.
Chemical Property Profile of 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one
Property Insights of 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one
The XLogP value of 3.09234 indicates that 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one 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 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one?
The CAS number of 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one is 930689-47-7.
What is the molecular formula of 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one?
The molecular formula of 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one is C21H28N4OS.
What is the molecular weight of 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one?
The molecular weight of 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one is 384.20 g/mol.
Where can I buy 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one?
You can request a quote for 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-benzylpiperazin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.