4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
TL;DR: 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide (CAS 428823-85-2) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
Also Known As: 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide, N-(4-ethoxybenzoyl)-N'-(3-pyridinylmethyl)thiourea, AB00109237-01, AE-641/01072021, BRD-K96635775-001-03-0
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 2.2848 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 629.599 |
Chemical Identifiers
| CAS Number | 428823-85-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2 |
Product Overview
4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide (CAS 428823-85-2), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide.
Chemical Property Profile of 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
Property Insights of 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
The XLogP value of 2.2848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide. Following Lipinski's Rule of Five, 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)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 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The CAS number of 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is 428823-85-2.
What is the molecular formula of 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The molecular formula of 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is C16H17N3O2S.
What is the molecular weight of 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The molecular weight of 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is 315.10 g/mol.
Where can I buy 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
You can request a quote for 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.