2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate
TL;DR: 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate (CAS 756859-40-2) is a chemical compound with molecular formula C13H15N3O4S and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0003827, 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate, [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate, 2-oxo-2-{[(prop-2-en-1-yl)carbamoyl]amino}ethyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C13H15N3O4S |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 0.9721 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.07834 |
| Heavy Atoms | 21 |
| Complexity | 547.97284 |
Chemical Identifiers
| CAS Number | 756859-40-2 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)NC(=O)NCC=C |
Product Overview
2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate (CAS 756859-40-2), with molecular formula C13H15N3O4S and molecular weight 309.08 g/mol. IUPAC: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate
Property Insights of 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate
The XLogP value of 0.9721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate 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 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate?
The CAS number of 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate is 756859-40-2.
What is the molecular formula of 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular formula of 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate is C13H15N3O4S.
What is the molecular weight of 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular weight of 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate is 309.08 g/mol.
Where can I buy 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate?
You can request a quote for 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Allylureido)-2-oxoethyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.