1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol
TL;DR: 1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol (CAS 259683-70-0) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-6,6-dimethyl-1H-pyrimidine-2-thione
Also Known As: Maybridge1_007610, 1-(3-methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol, 3-(3-methoxyphenyl)-6,6-dimethyl-1H-pyrimidine-2-thione, 1-(3-methoxyphenyl)-4,4-dimethylpyrimidine-2-thiol, 1-(3-methoxyphenyl)-4,4-dimethyl-3H-pyrimidine-2-thione
| Molecular Formula | C13H16N2OS |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.682 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.09833 |
| Heavy Atoms | 17 |
| Complexity | 468.2422 |
Chemical Identifiers
| CAS Number | 259683-70-0 |
|---|---|
| SMILES | CC1(C=CN(C(=S)N1)C2=CC(=CC=C2)OC)C |
Product Overview
1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol (CAS 259683-70-0), with molecular formula C13H16N2OS and molecular weight 248.10 g/mol. IUPAC: 3-(3-methoxyphenyl)-6,6-dimethyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol
Property Insights of 1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol
The XLogP value of 2.682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol. With a topological polar surface area (TPSA) of 24.5 Ų, 1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methoxyphenyl)-4,4-dimethyl-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-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol?
The CAS number of 1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol is 259683-70-0.
What is the molecular formula of 1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol?
The molecular formula of 1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol is C13H16N2OS.
What is the molecular weight of 1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol?
The molecular weight of 1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol is 248.10 g/mol.
Where can I buy 1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol?
You can request a quote for 1-(3-Methoxyphenyl)-4,4-dimethyl-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-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.