6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone
TL;DR: 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone (CAS 667908-93-2) is a chemical compound with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1-(4-phenoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one
Also Known As: 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone, AQ-099/42182007, 6-methyl-1-(4-phenoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one
| Molecular Formula | C17H16N2O2S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 3.4786 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.09326 |
| Heavy Atoms | 22 |
| Complexity | 685.56494 |
Chemical Identifiers
| CAS Number | 667908-93-2 |
|---|---|
| SMILES | CC1CC(=O)NC(=S)N1C2=CC=C(C=C2)OC3=CC=CC=C3 |
Product Overview
6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone (CAS 667908-93-2), with molecular formula C17H16N2O2S and molecular weight 312.09 g/mol. IUPAC: 6-methyl-1-(4-phenoxyphenyl)-2-sulfanylidene-1,3-diazinan-4-one.
Chemical Property Profile of 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone
Property Insights of 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone
The XLogP value of 3.4786 indicates that 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone has 1 hydrogen bond donor(s) and 3 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 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone?
The CAS number of 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone is 667908-93-2.
What is the molecular formula of 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone?
The molecular formula of 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone is C17H16N2O2S.
What is the molecular weight of 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone?
The molecular weight of 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone is 312.09 g/mol.
Where can I buy 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone?
You can request a quote for 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-1-(4-phenoxyphenyl)-2-thioxotetrahydro-4(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.