![4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide structure](/static/products/5787/578754-76-4.webp)
4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide
TL;DR: 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide (CAS 578754-76-4) is a chemical compound with molecular formula C14H14ClN3OS and molecular weight 307.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide
Also Known As: 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide, 4-chloro-N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide, 4-chloro-N-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)benzamide, 4-Chloro-N-(4,6-dimethyl-pyrimidin-2-ylsulfanylmethyl)-benzamide, 4-chloro-N-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}benzamide
| Molecular Formula | C14H14ClN3OS |
|---|---|
| Molecular Weight | 307.05 g/mol |
| LogP | 3.22644 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.0546 |
| Heavy Atoms | 20 |
| Complexity | 596.0661 |
Chemical Identifiers
| CAS Number | 578754-76-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCNC(=O)C2=CC=C(C=C2)Cl)C |
Product Overview
4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide (CAS 578754-76-4), with molecular formula C14H14ClN3OS and molecular weight 307.05 g/mol. IUPAC: 4-chloro-N-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide.
Chemical Property Profile of 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide
Property Insights of 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide
The XLogP value of 3.22644 indicates that 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-[[(4,6-dimethyl-2-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 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide?
The CAS number of 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide is 578754-76-4.
What is the molecular formula of 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide?
The molecular formula of 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide is C14H14ClN3OS.
What is the molecular weight of 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide?
The molecular weight of 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide is 307.05 g/mol.
Where can I buy 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide?
You can request a quote for 4-chloro-N-[[(4,6-dimethyl-2-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 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.