N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide
TL;DR: N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide (CAS 462083-49-4) is a chemical compound with molecular formula C26H26ClN3O3S and molecular weight 495.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(4-tert-butylbenzoyl)carbamothioylamino]-2-methoxyphenyl]-2-chlorobenzamide
Also Known As: N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide, N-[4-({[(4-tert-butylphenyl)carbonyl]carbamothioyl}amino)-2-methoxyphenyl]-2-chlorobenzamide, N-[4-[(4-tert-butylbenzoyl)carbamothioylamino]-2-methoxyphenyl]-2-chlorobenzamide, N-{4-[3-(4-tert-Butyl-benzoyl)-thioureido]-2-methoxy-phenyl}-2-chloro-benzamide, N-[4-({[(4-TERT-BUTYLPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)-2-METHOXYPHENYL]-2-CHLOROBENZAMIDE
| Molecular Formula | C26H26ClN3O3S |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 6.0252 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.13834 |
| Heavy Atoms | 34 |
| Complexity | 1220.7057 |
Chemical Identifiers
| CAS Number | 462083-49-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3Cl)OC |
Product Overview
N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide (CAS 462083-49-4), with molecular formula C26H26ClN3O3S and molecular weight 495.14 g/mol. IUPAC: N-[4-[(4-tert-butylbenzoyl)carbamothioylamino]-2-methoxyphenyl]-2-chlorobenzamide.
Chemical Property Profile of N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide
Property Insights of N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide
The XLogP value of 6.0252 indicates that N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide. Following Lipinski's Rule of Five, N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide?
The CAS number of N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide is 462083-49-4.
What is the molecular formula of N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide?
The molecular formula of N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide is C26H26ClN3O3S.
What is the molecular weight of N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide?
The molecular weight of N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide is 495.14 g/mol.
Where can I buy N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide?
You can request a quote for N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-(3-(4-(tert-butyl)benzoyl)thioureido)-2-methoxyphenyl)-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.