![Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate structure](/static/products/6944/694487-93-9.webp)
Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate
TL;DR: Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate (CAS 694487-93-9) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: CBKinase1_004487, CBKinase1_016887, AI-204/42273578, methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate, methyl 2-(2-((4-methylpyrimidin-2-yl)thio)acetamido)benzoate
| Molecular Formula | C15H15N3O3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 2.30242 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.0834 |
| Heavy Atoms | 22 |
| Complexity | 691.2378 |
Chemical Identifiers
| CAS Number | 694487-93-9 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)NC2=CC=CC=C2C(=O)OC |
Product Overview
Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate (CAS 694487-93-9), with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol. IUPAC: methyl 2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate
Property Insights of Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate
The XLogP value of 2.30242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 6 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 Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate?
The CAS number of Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate is 694487-93-9.
What is the molecular formula of Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate?
The molecular formula of Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate is C15H15N3O3S.
What is the molecular weight of Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate?
The molecular weight of Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate is 317.08 g/mol.
Where can I buy Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate?
You can request a quote for Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[(4-methyl-2-pyrimidinyl)thio]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.