S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate
TL;DR: S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate (CAS 425399-80-0) is a chemical compound with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(pyridin-2-ylmethyl) N-phenacylcarbamothioate
Also Known As: BIM-0042347.P001, S-(pyridin-2-ylmethyl) N-phenacylcarbamothioate, S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate, N-(2-oxo-2-phenylethyl)(2-pyridylmethylthio)carboxamide
| Molecular Formula | C15H14N2O2S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 2.9073 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.0776 |
| Heavy Atoms | 20 |
| Complexity | 572.9421 |
Chemical Identifiers
| CAS Number | 425399-80-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CNC(=O)SCC2=CC=CC=N2 |
Product Overview
S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate (CAS 425399-80-0), with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol. IUPAC: S-(pyridin-2-ylmethyl) N-phenacylcarbamothioate.
Chemical Property Profile of S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate
Property Insights of S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate
The XLogP value of 2.9073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate. With a topological polar surface area (TPSA) of 59.06 Ų, S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate has 1 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 S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate?
The CAS number of S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate is 425399-80-0.
What is the molecular formula of S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate?
The molecular formula of S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate is C15H14N2O2S.
What is the molecular weight of S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate?
The molecular weight of S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate is 286.08 g/mol.
Where can I buy S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate?
You can request a quote for S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(pyridin-2-ylmethyl) (2-oxo-2-phenylethyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.