![Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/7673/767346-91-8.webp)
Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 767346-91-8) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: BAS 07023748, methyl 3-(2-((4,6-dimethylpyrimidin-2-yl)thio)acetamido)benzoate, methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, methyl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate, METHYL 3-({2-[(4,6-DIMETHYL-2-PYRIMIDINYL)SULFANYL]ACETYL}AMINO)BENZOATE
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 2.61084 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 714.01044 |
Chemical Identifiers
| CAS Number | 767346-91-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C |
Product Overview
Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 767346-91-8), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: methyl 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 2.61084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]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 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is 767346-91-8.
What is the molecular formula of Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is C16H17N3O3S.
What is the molecular weight of Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is 331.10 g/mol.
Where can I buy Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]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 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-({[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.