2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone
TL;DR: 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone (CAS 654635-86-6) is a chemical compound with molecular formula C21H25N3OS and molecular weight 367.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1-piperidin-1-ylethanone
Also Known As: IFLab1_005691, IDI1_011094, F1411-0278, 2-((2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone, 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one
| Molecular Formula | C21H25N3OS |
|---|---|
| Molecular Weight | 367.17 g/mol |
| LogP | 4.127 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.17184 |
| Heavy Atoms | 26 |
| Complexity | 772.3257 |
Chemical Identifiers
| CAS Number | 654635-86-6 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=NC(=NC3=C2CCCC3)C4=CC=CC=C4 |
Product Overview
2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone (CAS 654635-86-6), with molecular formula C21H25N3OS and molecular weight 367.17 g/mol. IUPAC: 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1-piperidin-1-ylethanone.
Chemical Property Profile of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone
Property Insights of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone
The XLogP value of 4.127 indicates that 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone has 0 hydrogen bond donor(s) and 4 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-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone?
The CAS number of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone is 654635-86-6.
What is the molecular formula of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone?
The molecular formula of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone is C21H25N3OS.
What is the molecular weight of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone?
The molecular weight of 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone is 367.17 g/mol.
Where can I buy 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone?
You can request a quote for 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)thio)-1-(piperidin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.