![3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide structure](/static/products/4262/426222-65-3.webp)
3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide
TL;DR: 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide (CAS 426222-65-3) is a chemical compound with molecular formula C16H13Cl2N3O4S and molecular weight 413.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide
Also Known As: 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide, AB00107840-01, 3-Chloro-N-((4-chloro-3-nitrophenyl)carbamothioyl)-4-ethoxybenzamide, 3-chloro-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-4-ethoxy-benzamide
| Molecular Formula | C16H13Cl2N3O4S |
|---|---|
| Molecular Weight | 413.00 g/mol |
| LogP | 4.4271 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.0004 |
| Heavy Atoms | 26 |
| Complexity | 876.56854 |
Chemical Identifiers
| CAS Number | 426222-65-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl |
Product Overview
3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide (CAS 426222-65-3), with molecular formula C16H13Cl2N3O4S and molecular weight 413.00 g/mol. IUPAC: 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide.
Chemical Property Profile of 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide
Property Insights of 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide
The XLogP value of 4.4271 indicates that 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide. Following Lipinski's Rule of Five, 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide has 2 hydrogen bond donor(s) and 5 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 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide?
The CAS number of 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide is 426222-65-3.
What is the molecular formula of 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide?
The molecular formula of 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide is C16H13Cl2N3O4S.
What is the molecular weight of 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide?
The molecular weight of 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide is 413.00 g/mol.
Where can I buy 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide?
You can request a quote for 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-ethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.