1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol
TL;DR: 1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol (CAS 42569-89-1) is a chemical compound with molecular formula C14H18N2OS and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
Also Known As: 1-(2-methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol, BAS 00381205, 3-(2-methoxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione, 2-pyrimidinethiol, 1,4-dihydro-1-(2-methoxyphenyl)-4,4,6-trimethyl-, 1-(2-Methoxyphenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione
| Molecular Formula | C14H18N2OS |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.11398 |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 42569-89-1 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC=CC=C2OC)(C)C |
| InChIKey | ZJUMNHQSUJLSRH-UHFFFAOYSA-N |
Product Overview
1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol (CAS 42569-89-1), with molecular formula C14H18N2OS and molecular weight 262.11 g/mol. IUPAC: 3-(2-methoxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol
Property Insights of 1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol. With a topological polar surface area (TPSA) of 56.6 Ų, 1-(2-Methoxyphenyl)-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-(2-Methoxyphenyl)-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-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
The CAS number of 1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol is 42569-89-1.
What is the molecular formula of 1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
The molecular formula of 1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol is C14H18N2OS.
What is the molecular weight of 1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
The molecular weight of 1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol is 262.11 g/mol.
Where can I buy 1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
You can request a quote for 1-(2-Methoxyphenyl)-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-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methoxyphenyl)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.