4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-
TL;DR: 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)- (CAS 199852-51-2) is a chemical compound with molecular formula C21H26N2OS and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-prop-2-enyl-2-prop-2-enylsulfanylpyrimidin-4-one
Also Known As: 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-, 3-allyl-2-allylsulfanyl-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-pyrimidin-4-one, 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-prop-2-enyl-2-prop-2-enylsulfanylpyrimidin-4-one, 4(3H)-Pyrimidinone, 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-, 6-[(3,5-Dimethylphenyl)methyl]-5-ethyl-3-(prop-2-en-1-yl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidin-4(3H)-one
| Molecular Formula | C21H26N2OS |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.17657 |
| Heavy Atoms | 25 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 199852-51-2 |
|---|---|
| SMILES | CCC1=C(N=C(N(C1=O)CC=C)SCC=C)CC2=CC(=CC(=C2)C)C |
| InChIKey | VMSJGPDQMQCPTI-UHFFFAOYSA-N |
Product Overview
4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)- (CAS 199852-51-2), with molecular formula C21H26N2OS and molecular weight 354.18 g/mol. IUPAC: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-prop-2-enyl-2-prop-2-enylsulfanylpyrimidin-4-one.
Chemical Property Profile of 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-
Property Insights of 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-
The XLogP value of 5.2 indicates that 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-?
The CAS number of 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)- is 199852-51-2.
What is the molecular formula of 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-?
The molecular formula of 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)- is C21H26N2OS.
What is the molecular weight of 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-?
The molecular weight of 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)- is 354.18 g/mol.
Where can I buy 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-?
You can request a quote for 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.