1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone
TL;DR: 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone (CAS 62554-19-2) is a chemical compound with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-butoxyphenyl)methyl]-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
Also Known As: NIOSH/MX8771200, 1-(p-Butoxybenzyl)-5-methyl-2-thiohydrouracil, Hydrouracil, 1-(p-butoxybenzyl)-5-methyl-2-thio-, 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone, 4(1H)-Pyrimidinone, 1-((4-butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-
| Molecular Formula | C16H22N2O2S |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 2.7183 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.1402 |
| Heavy Atoms | 21 |
| Complexity | 501.50336 |
Chemical Identifiers
| CAS Number | 62554-19-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CN2CC(C(=O)NC2=S)C |
Product Overview
1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone (CAS 62554-19-2), with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol. IUPAC: 1-[(4-butoxyphenyl)methyl]-5-methyl-2-sulfanylidene-1,3-diazinan-4-one.
Chemical Property Profile of 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone
Property Insights of 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone
The XLogP value of 2.7183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone. With a topological polar surface area (TPSA) of 41.57 Ų, 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-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 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone?
The CAS number of 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone is 62554-19-2.
What is the molecular formula of 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone?
The molecular formula of 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone is C16H22N2O2S.
What is the molecular weight of 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone?
The molecular weight of 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone is 306.14 g/mol.
Where can I buy 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone?
You can request a quote for 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-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 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Butoxyphenyl)methyl)tetrahydro-5-methyl-2-thioxo-4(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.