![N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide structure](/static/products/5552/5552-57-8.webp)
N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide
TL;DR: N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide (CAS 5552-57-8) is a chemical compound with molecular formula C13H13N3OS and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6-methylpyrimidin-4-yl)sulfanylmethyl]benzamide
Also Known As: N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide, N-[(6-methylpyrimidin-4-yl)sulfanylmethyl]benzamide, N-[(6-methylpyrimidin-4-ylthio)methyl]benzamide, N-{[(6-methylpyrimidin-4-yl)sulfanyl]methyl}benzamide
| Molecular Formula | C13H13N3OS |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.26462 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.07794 |
| Heavy Atoms | 18 |
| Complexity | 530.7694 |
Chemical Identifiers
| CAS Number | 5552-57-8 |
|---|---|
| SMILES | CC1=CC(=NC=N1)SCNC(=O)C2=CC=CC=C2 |
Product Overview
N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide (CAS 5552-57-8), with molecular formula C13H13N3OS and molecular weight 259.08 g/mol. IUPAC: N-[(6-methylpyrimidin-4-yl)sulfanylmethyl]benzamide.
Chemical Property Profile of N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide
Property Insights of N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide
The XLogP value of 2.26462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide. With a topological polar surface area (TPSA) of 54.88 Ų, N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[(6-methyl-4-pyrimidinyl)thio]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-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide?
The CAS number of N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide is 5552-57-8.
What is the molecular formula of N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide?
The molecular formula of N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide is C13H13N3OS.
What is the molecular weight of N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide?
The molecular weight of N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide is 259.08 g/mol.
Where can I buy N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide?
You can request a quote for N-[[(6-methyl-4-pyrimidinyl)thio]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-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.