3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
TL;DR: 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide (CAS 428494-85-3) is a chemical compound with molecular formula C15H14ClN3O2S and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
Also Known As: 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide, AB00108945-01
| Molecular Formula | C15H14ClN3O2S |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 3.2605 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.04953 |
| Heavy Atoms | 22 |
| Complexity | 679.74274 |
Chemical Identifiers
| CAS Number | 428494-85-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CN=CC=C2)Cl |
Product Overview
3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide (CAS 428494-85-3), with molecular formula C15H14ClN3O2S and molecular weight 335.05 g/mol. IUPAC: 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide.
Chemical Property Profile of 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
Property Insights of 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
The XLogP value of 3.2605 indicates that 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide. Following Lipinski's Rule of Five, 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide 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 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide?
The CAS number of 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide is 428494-85-3.
What is the molecular formula of 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide?
The molecular formula of 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide is C15H14ClN3O2S.
What is the molecular weight of 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide?
The molecular weight of 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide is 335.05 g/mol.
Where can I buy 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide?
You can request a quote for 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)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-(pyridin-3-ylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.