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N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide
TL;DR: N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide (CAS 429640-38-0) is a chemical compound with molecular formula C16H12ClIN2O2S and molecular weight 457.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide
Also Known As: N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide, AB00111138-01, N-[(3-acetylphenyl)thiocarbamoyl]-2-chloro-5-iodo-benzamide
| Molecular Formula | C16H12ClIN2O2S |
|---|---|
| Molecular Weight | 457.94 g/mol |
| LogP | 4.274 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.93527 |
| Heavy Atoms | 23 |
| Complexity | 795.3997 |
Chemical Identifiers
| CAS Number | 429640-38-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl |
Product Overview
N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide (CAS 429640-38-0), with molecular formula C16H12ClIN2O2S and molecular weight 457.94 g/mol. IUPAC: N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide.
Chemical Property Profile of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide
Property Insights of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide
The XLogP value of 4.274 indicates that N-[(3-acetylphenyl)carbamothioyl]-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 58.2 Ų, N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide has 2 hydrogen bond donor(s) and 3 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-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide?
The CAS number of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide is 429640-38-0.
What is the molecular formula of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide?
The molecular formula of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide is C16H12ClIN2O2S.
What is the molecular weight of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide?
The molecular weight of N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide is 457.94 g/mol.
Where can I buy N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide?
You can request a quote for N-[(3-acetylphenyl)carbamothioyl]-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-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-acetylphenyl)carbamothioyl]-2-chloro-5-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.