(E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide
TL;DR: (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide (CAS 642989-84-2) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide
Also Known As: (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide, (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)acrylamide, (2E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide, (2E)-3-(4-Methoxyphenyl)-N-[(pyridin-2-yl)carbamothioyl]prop-2-enamide
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 2.6166 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 669.5501 |
Chemical Identifiers
| CAS Number | 642989-84-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=N2 |
Product Overview
(E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide (CAS 642989-84-2), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide.
Chemical Property Profile of (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide
Property Insights of (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide
The XLogP value of 2.6166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide 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 (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide?
The CAS number of (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide is 642989-84-2.
What is the molecular formula of (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide?
The molecular formula of (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide is C16H15N3O2S.
What is the molecular weight of (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide?
The molecular weight of (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide is 313.09 g/mol.
Where can I buy (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide?
You can request a quote for (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-methoxyphenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.