![3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide structure](/static/products/4262/426216-71-9.webp)
3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
TL;DR: 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide (CAS 426216-71-9) is a chemical compound with molecular formula C17H16ClN3O5S and molecular weight 409.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
Also Known As: AB00107716-01, 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
| Molecular Formula | C17H16ClN3O5S |
|---|---|
| Molecular Weight | 409.05 g/mol |
| LogP | 3.7823 |
| Topological Polar Surface Area | 102.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.04993 |
| Heavy Atoms | 27 |
| Complexity | 890.86774 |
Chemical Identifiers
| CAS Number | 426216-71-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)Cl |
Product Overview
3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide (CAS 426216-71-9), with molecular formula C17H16ClN3O5S and molecular weight 409.05 g/mol. IUPAC: 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
Property Insights of 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 3.7823 indicates that 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 6 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-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide is 426216-71-9.
What is the molecular formula of 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide is C17H16ClN3O5S.
What is the molecular weight of 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide is 409.05 g/mol.
Where can I buy 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-ethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.