N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide
TL;DR: N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide (CAS 677761-01-2) is a chemical compound with molecular formula C20H26N2OS and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide
Also Known As: N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide, N-[(1-adamantylamino)carbonothioyl]-3,5-dimethylbenzamide, 3,5-dimethyl-N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamothioyl)benzamide
| Molecular Formula | C20H26N2OS |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 3.87654 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.17657 |
| Heavy Atoms | 24 |
| Complexity | 641.3451 |
Chemical Identifiers
| CAS Number | 677761-01-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)C |
Product Overview
N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide (CAS 677761-01-2), with molecular formula C20H26N2OS and molecular weight 342.18 g/mol. IUPAC: N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide.
Chemical Property Profile of N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide
Property Insights of N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide
The XLogP value of 3.87654 indicates that N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide has 2 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 N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide?
The CAS number of N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide is 677761-01-2.
What is the molecular formula of N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide?
The molecular formula of N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide is C20H26N2OS.
What is the molecular weight of N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide?
The molecular weight of N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide is 342.18 g/mol.
Where can I buy N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide?
You can request a quote for N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantylcarbamothioyl)-3,5-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.