![2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide structure](/static/products/4296/429642-15-9.webp)
2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide
TL;DR: 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide (CAS 429642-15-9) is a chemical compound with molecular formula C14H8Cl2IN3O3S and molecular weight 494.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide
Also Known As: 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide, AB00111182-01, 2-chloro-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-5-iodo-benzamide
| Molecular Formula | C14H8Cl2IN3O3S |
|---|---|
| Molecular Weight | 494.87 g/mol |
| LogP | 4.633 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 494.87082 |
| Heavy Atoms | 24 |
| Complexity | 848.0095 |
Chemical Identifiers
| CAS Number | 429642-15-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)[N+](=O)[O-])Cl |
Product Overview
2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide (CAS 429642-15-9), with molecular formula C14H8Cl2IN3O3S and molecular weight 494.87 g/mol. IUPAC: 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide.
Chemical Property Profile of 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide
Property Insights of 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide
The XLogP value of 4.633 indicates that 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide has 2 hydrogen bond donor(s) and 4 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-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide?
The CAS number of 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide is 429642-15-9.
What is the molecular formula of 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide?
The molecular formula of 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide is C14H8Cl2IN3O3S.
What is the molecular weight of 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide?
The molecular weight of 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide is 494.87 g/mol.
Where can I buy 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide?
You can request a quote for 2-chloro-N-[(4-chloro-3-nitrophenyl)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-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.