N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide
TL;DR: N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide (CAS 532979-72-9) is a chemical compound with molecular formula C18H20ClIN2OS and molecular weight 474.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide
Also Known As: N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide, N-(1-adamantylthiocarbamoyl)-2-chloro-5-iodo-benzamide, N-[(1-adamantylamino)carbonothioyl]-2-chloro-5-iodobenzamide, 2-chloro-5-iodo-N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamothioyl)benzamide
| Molecular Formula | C18H20ClIN2OS |
|---|---|
| Molecular Weight | 474.00 g/mol |
| LogP | 4.5177 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 474.00296 |
| Heavy Atoms | 24 |
| Complexity | 672.975 |
Chemical Identifiers
| CAS Number | 532979-72-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl |
Product Overview
N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide (CAS 532979-72-9), with molecular formula C18H20ClIN2OS and molecular weight 474.00 g/mol. IUPAC: N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide.
Chemical Property Profile of N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide
Property Insights of N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide
The XLogP value of 4.5177 indicates that N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide 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)-2-chloro-5-iodobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide 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)-2-chloro-5-iodobenzamide?
The CAS number of N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide is 532979-72-9.
What is the molecular formula of N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide?
The molecular formula of N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide is C18H20ClIN2OS.
What is the molecular weight of N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide?
The molecular weight of N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide is 474.00 g/mol.
Where can I buy N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide?
You can request a quote for N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide 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)-2-chloro-5-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantylcarbamothioyl)-2-chloro-5-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.