N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide
TL;DR: N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide (CAS 63464-91-5) is a chemical compound with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide
Also Known As: N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide, N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]pyridine-3-carbothioamide
| Molecular Formula | C14H12N2O2S |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 1.548 |
| Topological Polar Surface Area | 62.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.06195 |
| Heavy Atoms | 19 |
| Complexity | 572.5145 |
Chemical Identifiers
| CAS Number | 63464-91-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(NC(=S)C2=CN=CC=C2)O |
Product Overview
N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide (CAS 63464-91-5), with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol. IUPAC: N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide.
Chemical Property Profile of N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide
Property Insights of N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide
The XLogP value of 1.548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide. The TPSA of 62.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide. Following Lipinski's Rule of Five, N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide 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 N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide?
The CAS number of N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide is 63464-91-5.
What is the molecular formula of N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide?
The molecular formula of N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide is C14H12N2O2S.
What is the molecular weight of N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide?
The molecular weight of N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide is 272.06 g/mol.
Where can I buy N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide?
You can request a quote for N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-hydroxy-2-oxo-2-phenylethyl)pyridine-3-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.