![N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide structure](/static/products/4454/445420-14-4.webp)
N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide
TL;DR: N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide (CAS 445420-14-4) is a chemical compound with molecular formula C26H38N2O4S and molecular weight 474.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide
Also Known As: AN-465/41168775, N-[1-(1-adamantyl)ethyl]-N'-(3,4,5-triethoxybenzoyl)thiourea, N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide, N-((1-(adamantan-1-yl)ethyl)carbamothioyl)-3,4,5-triethoxybenzamide, N-((1-((3r,5r,7r)-adamantan-1-yl)ethyl)carbamothioyl)-3,4,5-triethoxybenzamide
| Molecular Formula | C26H38N2O4S |
|---|---|
| Molecular Weight | 474.26 g/mol |
| LogP | 5.0919 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.25522 |
| Heavy Atoms | 33 |
| Complexity | 824.7538 |
Chemical Identifiers
| CAS Number | 445420-14-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC(C)C23CC4CC(C2)CC(C4)C3 |
Product Overview
N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide (CAS 445420-14-4), with molecular formula C26H38N2O4S and molecular weight 474.26 g/mol. IUPAC: N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide.
Chemical Property Profile of N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide
Property Insights of N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide
The XLogP value of 5.0919 indicates that N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide. Following Lipinski's Rule of Five, N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide?
The CAS number of N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide is 445420-14-4.
What is the molecular formula of N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide?
The molecular formula of N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide is C26H38N2O4S.
What is the molecular weight of N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide?
The molecular weight of N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide is 474.26 g/mol.
Where can I buy N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide?
You can request a quote for N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(1-adamantyl)ethylcarbamothioyl]-3,4,5-triethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.