2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate
TL;DR: 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 380190-80-7) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0005677, 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate, (benzylcarbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate, [2-(benzylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.2767 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 646.849 |
Chemical Identifiers
| CAS Number | 380190-80-7 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)NCC2=CC=CC=C2 |
Product Overview
2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 380190-80-7), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: [2-(benzylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate
Property Insights of 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate
The XLogP value of 2.2767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate has 1 hydrogen bond donor(s) and 5 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-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate?
The CAS number of 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate is 380190-80-7.
What is the molecular formula of 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular formula of 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate is C16H16N2O3S.
What is the molecular weight of 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular weight of 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate is 316.09 g/mol.
Where can I buy 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate?
You can request a quote for 2-(Benzylamino)-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-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-2-oxoethyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.