![Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/717/717875-85-9.png)
Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 717875-85-9) is a chemical compound with molecular formula C15H13N5O3S and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: methyl 2-({[(4-amino-5-cyano-2-pyrimidinyl)thio]acetyl}amino)benzoate, methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate, methyl 2-(2-((4-amino-5-cyanopyrimidin-2-yl)thio)acetamido)benzoate, methyl 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]benzoate
| Molecular Formula | C15H13N5O3S |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 1.44788 |
| Topological Polar Surface Area | 130.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.0739 |
| Heavy Atoms | 24 |
| Complexity | 818.9971 |
Chemical Identifiers
| CAS Number | 717875-85-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N |
Product Overview
Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 717875-85-9), with molecular formula C15H13N5O3S and molecular weight 343.07 g/mol. IUPAC: methyl 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 1.44788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate. The TPSA of 130.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate has 2 hydrogen bond donor(s) and 8 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-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is 717875-85-9.
What is the molecular formula of Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is C15H13N5O3S.
What is the molecular weight of Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate is 343.07 g/mol.
Where can I buy Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for Methyl 2-({[(4-amino-5-cyanopyrimidin-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 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.