6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
TL;DR: 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione (CAS 667908-66-9) is a chemical compound with molecular formula C21H26N2S and molecular weight 338.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
Also Known As: ChemDiv3_005118, IDI1_023028, 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione, 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-2(1H)-pyrimidinethione, AQ-090/41729163
| Molecular Formula | C21H26N2S |
|---|---|
| Molecular Weight | 338.18 g/mol |
| LogP | 4.61412 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.18167 |
| Heavy Atoms | 24 |
| Complexity | 667.76965 |
Chemical Identifiers
| CAS Number | 667908-66-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C=C(NC(=S)N2)C34CC5CC(C3)CC(C5)C4 |
Product Overview
6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione (CAS 667908-66-9), with molecular formula C21H26N2S and molecular weight 338.18 g/mol. IUPAC: 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione.
Chemical Property Profile of 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
Property Insights of 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
The XLogP value of 4.61412 indicates that 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione has 2 hydrogen bond donor(s) and 1 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 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione?
The CAS number of 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione is 667908-66-9.
What is the molecular formula of 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione?
The molecular formula of 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione is C21H26N2S.
What is the molecular weight of 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione?
The molecular weight of 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione is 338.18 g/mol.
Where can I buy 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione?
You can request a quote for 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-adamantyl)-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.