2-(2-adamantyl)-1H-quinazoline-4-thione
TL;DR: 2-(2-adamantyl)-1H-quinazoline-4-thione (CAS 606136-45-2) is a chemical compound with molecular formula C18H20N2S and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-adamantyl)-1H-quinazoline-4-thione
Also Known As: ASN 06988545, 2-Adamantan-2-yl-quinazoline-4-thiol, 2-(2-adamantyl)-1H-quinazoline-4-thione, 4(1H)-Quinazolinethione, 2-tricyclo[3.3.1.13,7]dec-2-yl- (9CI)
| Molecular Formula | C18H20N2S |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 4.83209 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.1347 |
| Heavy Atoms | 21 |
| Complexity | 735.1475 |
Chemical Identifiers
| CAS Number | 606136-45-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3C4=NC(=S)C5=CC=CC=C5N4 |
Product Overview
2-(2-adamantyl)-1H-quinazoline-4-thione (CAS 606136-45-2), with molecular formula C18H20N2S and molecular weight 296.13 g/mol. IUPAC: 2-(2-adamantyl)-1H-quinazoline-4-thione.
Chemical Property Profile of 2-(2-adamantyl)-1H-quinazoline-4-thione
Property Insights of 2-(2-adamantyl)-1H-quinazoline-4-thione
The XLogP value of 4.83209 indicates that 2-(2-adamantyl)-1H-quinazoline-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 2-(2-adamantyl)-1H-quinazoline-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-adamantyl)-1H-quinazoline-4-thione 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 2-(2-adamantyl)-1H-quinazoline-4-thione?
The CAS number of 2-(2-adamantyl)-1H-quinazoline-4-thione is 606136-45-2.
What is the molecular formula of 2-(2-adamantyl)-1H-quinazoline-4-thione?
The molecular formula of 2-(2-adamantyl)-1H-quinazoline-4-thione is C18H20N2S.
What is the molecular weight of 2-(2-adamantyl)-1H-quinazoline-4-thione?
The molecular weight of 2-(2-adamantyl)-1H-quinazoline-4-thione is 296.13 g/mol.
Where can I buy 2-(2-adamantyl)-1H-quinazoline-4-thione?
You can request a quote for 2-(2-adamantyl)-1H-quinazoline-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-adamantyl)-1H-quinazoline-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-adamantyl)-1H-quinazoline-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.