1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol
TL;DR: 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol (CAS 37489-44-4) is a chemical compound with molecular formula C15H20N2OS and molecular weight 276.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
Also Known As: BAS 00944064, 3-(4-ethoxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione, A2501/0106393, 1-(4-ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol, 1-(4-Ethoxy-phenyl)-4,4,6-trimethyl-3,4-dihydro-1H-pyrimidine-2-thione
| Molecular Formula | C15H20N2OS |
|---|---|
| Molecular Weight | 276.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.12964 |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 37489-44-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=CC(NC2=S)(C)C)C |
| InChIKey | NVDNJITZYXZQRE-UHFFFAOYSA-N |
Product Overview
1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol (CAS 37489-44-4), with molecular formula C15H20N2OS and molecular weight 276.13 g/mol. IUPAC: 3-(4-ethoxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol
Property Insights of 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol
The XLogP value of 3.0 indicates that 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.6 Ų, 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol has 1 hydrogen bond donor(s) and 2 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-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
The CAS number of 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol is 37489-44-4.
What is the molecular formula of 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
The molecular formula of 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol is C15H20N2OS.
What is the molecular weight of 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
The molecular weight of 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol is 276.13 g/mol.
Where can I buy 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
You can request a quote for 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.