1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine
TL;DR: 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine (CAS 54679-24-2) is a chemical compound with molecular formula C8H14N2O2S and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylsulfanyl-5,6-dihydro-4H-pyrimidine-1-carboxylate
Also Known As: Maybridge1_001604, 1-ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine, BRD-K83659494-001-01-9, 3,4,5,6-tetrahydro-3-ethoxycarbonyl-2-methylthiopyrimidine, ethyl 2-methylsulfanyl-5,6-dihydro-4H-pyrimidine-1-carboxylate
| Molecular Formula | C8H14N2O2S |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | 1.5676 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.0776 |
| Heavy Atoms | 13 |
| Complexity | 218.18956 |
Chemical Identifiers
| CAS Number | 54679-24-2 |
|---|---|
| SMILES | CCOC(=O)N1CCCN=C1SC |
Product Overview
1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine (CAS 54679-24-2), with molecular formula C8H14N2O2S and molecular weight 202.08 g/mol. IUPAC: ethyl 2-methylsulfanyl-5,6-dihydro-4H-pyrimidine-1-carboxylate.
Chemical Property Profile of 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine
Property Insights of 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine
The XLogP value of 1.5676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine. With a topological polar surface area (TPSA) of 41.9 Ų, 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine has 0 hydrogen bond donor(s) and 4 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-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine?
The CAS number of 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine is 54679-24-2.
What is the molecular formula of 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine?
The molecular formula of 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine is C8H14N2O2S.
What is the molecular weight of 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine?
The molecular weight of 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine is 202.08 g/mol.
Where can I buy 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine?
You can request a quote for 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethoxycarbonyl-2-methylthio-1,4,5,6-tetrahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.