![N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide structure](/static/products/7295/729563-00-2.webp)
N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide
TL;DR: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 729563-00-2) is a chemical compound with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Also Known As: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide, N-(2-cyanoethyl-(pyridin-3-ylmethyl)thiocarbamoyl)-3,4,5-trimethoxy-benzamide, N-{(2-Cyanoethyl)[(pyridin-3-yl)methyl]carbamothioyl}-3,4,5-trimethoxybenzamide
| Molecular Formula | C20H22N4O4S |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 2.53798 |
| Topological Polar Surface Area | 96.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.13617 |
| Heavy Atoms | 29 |
| Complexity | 874.0945 |
Chemical Identifiers
| CAS Number | 729563-00-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N(CCC#N)CC2=CN=CC=C2 |
Product Overview
N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 729563-00-2), with molecular formula C20H22N4O4S and molecular weight 414.14 g/mol. IUPAC: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Property Insights of N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide
The XLogP value of 2.53798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide. The TPSA of 96.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide has 1 hydrogen bond donor(s) and 7 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 N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The CAS number of N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide is 729563-00-2.
What is the molecular formula of N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular formula of N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide is C20H22N4O4S.
What is the molecular weight of N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular weight of N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide is 414.14 g/mol.
Where can I buy N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
You can request a quote for N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.