2-(Adamantan-1-YL)-N-benzylethanethioamide
TL;DR: 2-(Adamantan-1-YL)-N-benzylethanethioamide (CAS 324042-79-7) is a chemical compound with molecular formula C19H25NS and molecular weight 299.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-N-benzylethanethioamide
Also Known As: 1-adamantylthioacetic acid benzylamide, 2-(ADAMANTAN-1-YL)-N-BENZYLETHANETHIOAMIDE, benzyl(1-adamantanyl)ethanethioamide, 2-(1-adamantyl)-N-benzylethanethioamide, 2-(1-adamantyl)-N-benzyl-ethanethioamide
| Molecular Formula | C19H25NS |
|---|---|
| Molecular Weight | 299.17 g/mol |
| LogP | 4.7101 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.17078 |
| Heavy Atoms | 21 |
| Complexity | 486.3435 |
Chemical Identifiers
| CAS Number | 324042-79-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CC(=S)NCC4=CC=CC=C4 |
Product Overview
2-(Adamantan-1-YL)-N-benzylethanethioamide (CAS 324042-79-7), with molecular formula C19H25NS and molecular weight 299.17 g/mol. IUPAC: 2-(1-adamantyl)-N-benzylethanethioamide.
Chemical Property Profile of 2-(Adamantan-1-YL)-N-benzylethanethioamide
Property Insights of 2-(Adamantan-1-YL)-N-benzylethanethioamide
The XLogP value of 4.7101 indicates that 2-(Adamantan-1-YL)-N-benzylethanethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2-(Adamantan-1-YL)-N-benzylethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Adamantan-1-YL)-N-benzylethanethioamide has 1 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 2-(Adamantan-1-YL)-N-benzylethanethioamide?
The CAS number of 2-(Adamantan-1-YL)-N-benzylethanethioamide is 324042-79-7.
What is the molecular formula of 2-(Adamantan-1-YL)-N-benzylethanethioamide?
The molecular formula of 2-(Adamantan-1-YL)-N-benzylethanethioamide is C19H25NS.
What is the molecular weight of 2-(Adamantan-1-YL)-N-benzylethanethioamide?
The molecular weight of 2-(Adamantan-1-YL)-N-benzylethanethioamide is 299.17 g/mol.
Where can I buy 2-(Adamantan-1-YL)-N-benzylethanethioamide?
You can request a quote for 2-(Adamantan-1-YL)-N-benzylethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Adamantan-1-YL)-N-benzylethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Adamantan-1-YL)-N-benzylethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.