![N-[(4-pyrimidinylthio)methyl]benzamide structure](/static/products/2012/201299-59-4.webp)
N-[(4-pyrimidinylthio)methyl]benzamide
TL;DR: N-[(4-pyrimidinylthio)methyl]benzamide (CAS 201299-59-4) is a chemical compound with molecular formula C12H11N3OS and molecular weight 245.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(pyrimidin-4-ylsulfanylmethyl)benzamide
Also Known As: N-[(4-pyrimidinylthio)methyl]benzamide, IFLab1_000023, N-(pyrimidin-4-ylsulfanylmethyl)benzamide, N-(4-pyrimidinylthio)methylbenzamide, N-((pyrimidin-4-ylthio)methyl)benzamide
| Molecular Formula | C12H11N3OS |
|---|---|
| Molecular Weight | 245.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.06229 |
| Heavy Atoms | 17 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 201299-59-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCSC2=NC=NC=C2 |
| InChIKey | LJYVVKASBVLJRS-UHFFFAOYSA-N |
Product Overview
N-[(4-pyrimidinylthio)methyl]benzamide (CAS 201299-59-4), with molecular formula C12H11N3OS and molecular weight 245.06 g/mol. IUPAC: N-(pyrimidin-4-ylsulfanylmethyl)benzamide.
Chemical Property Profile of N-[(4-pyrimidinylthio)methyl]benzamide
Property Insights of N-[(4-pyrimidinylthio)methyl]benzamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-pyrimidinylthio)methyl]benzamide. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-pyrimidinylthio)methyl]benzamide. Following Lipinski's Rule of Five, N-[(4-pyrimidinylthio)methyl]benzamide 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 N-[(4-pyrimidinylthio)methyl]benzamide?
The CAS number of N-[(4-pyrimidinylthio)methyl]benzamide is 201299-59-4.
What is the molecular formula of N-[(4-pyrimidinylthio)methyl]benzamide?
The molecular formula of N-[(4-pyrimidinylthio)methyl]benzamide is C12H11N3OS.
What is the molecular weight of N-[(4-pyrimidinylthio)methyl]benzamide?
The molecular weight of N-[(4-pyrimidinylthio)methyl]benzamide is 245.06 g/mol.
Where can I buy N-[(4-pyrimidinylthio)methyl]benzamide?
You can request a quote for N-[(4-pyrimidinylthio)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-pyrimidinylthio)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-pyrimidinylthio)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.