![{[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid structure](/static/products/1151/115102-54-0.webp)
{[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid
TL;DR: {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid (CAS 115102-54-0) is a chemical compound with molecular formula C9H11N3O4S and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylacetic acid
Also Known As: {[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid, 5-Aethoxy-furan-2-carbonsaeure, 2-(4-bromophenyl)butanoic acid, BAS 02254487, 2-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylacetic acid
| Molecular Formula | C9H11N3O4S |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.04703 |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 115102-54-0 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SCC(=O)O |
| InChIKey | KXVUMCRNMDWQHQ-UHFFFAOYSA-N |
Product Overview
{[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid (CAS 115102-54-0), with molecular formula C9H11N3O4S and molecular weight 257.05 g/mol. IUPAC: 2-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylacetic acid.
Chemical Property Profile of {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid
Property Insights of {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid. The TPSA of 141.0 Ų indicates high polarity, suggesting {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid 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 {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid?
The CAS number of {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid is 115102-54-0.
What is the molecular formula of {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid?
The molecular formula of {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid is C9H11N3O4S.
What is the molecular weight of {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid?
The molecular weight of {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid is 257.05 g/mol.
Where can I buy {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid?
You can request a quote for {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.