(3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
TL;DR: (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone (CAS 851803-16-2) is a chemical compound with molecular formula C22H28N2OS and molecular weight 368.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
Also Known As: (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone, F0630-0926, 1-adamantyl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone, 1-(adamantane-1-carbonyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
| Molecular Formula | C22H28N2OS |
|---|---|
| Molecular Weight | 368.19 g/mol |
| LogP | 4.64282 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.19223 |
| Heavy Atoms | 26 |
| Complexity | 720.97986 |
Chemical Identifiers
| CAS Number | 851803-16-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NCCN2C(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
(3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone (CAS 851803-16-2), with molecular formula C22H28N2OS and molecular weight 368.19 g/mol. IUPAC: 1-adamantyl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
Chemical Property Profile of (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
Property Insights of (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
The XLogP value of 4.64282 indicates that (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone has 0 hydrogen bond donor(s) and 3 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 (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
The CAS number of (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is 851803-16-2.
What is the molecular formula of (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
The molecular formula of (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is C22H28N2OS.
What is the molecular weight of (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
The molecular weight of (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone is 368.19 g/mol.
Where can I buy (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
You can request a quote for (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3r,5r,7r)-adamantan-1-yl(2-((3-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.