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2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide
TL;DR: 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide (CAS 364741-97-9) is a chemical compound with molecular formula C16H14ClIN2OS and molecular weight 443.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide
Also Known As: 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide, 2-chloro-N-[(3,4-dimethylphenyl)thiocarbamoyl]-5-iodo-benzamide
| Molecular Formula | C16H14ClIN2OS |
|---|---|
| Molecular Weight | 443.96 g/mol |
| LogP | 4.68824 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 443.95602 |
| Heavy Atoms | 22 |
| Complexity | 748.92084 |
Chemical Identifiers
| CAS Number | 364741-97-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C |
Product Overview
2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide (CAS 364741-97-9), with molecular formula C16H14ClIN2OS and molecular weight 443.96 g/mol. IUPAC: 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide.
Chemical Property Profile of 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide
Property Insights of 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide
The XLogP value of 4.68824 indicates that 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-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, 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-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 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide?
The CAS number of 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide is 364741-97-9.
What is the molecular formula of 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide?
The molecular formula of 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide is C16H14ClIN2OS.
What is the molecular weight of 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide?
The molecular weight of 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide is 443.96 g/mol.
Where can I buy 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide?
You can request a quote for 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[(3,4-dimethylphenyl)carbamothioyl]-5-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.