![[4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate structure](/static/products/5171/5171-30-2.webp)
[4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate
TL;DR: [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate (CAS 5171-30-2) is a chemical compound with molecular formula C10H15N3O2S and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-2-methylsulfanylpyrimidin-5-yl)methyl butanoate
Also Known As: [4-amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate|(4-amino-2-methylsulfanylpyrimidin-5-yl)methyl butanoate
| Molecular Formula | C10H15N3O2S |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 241.0885 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 5171-30-2 |
|---|---|
| SMILES | CCCC(=O)OCC1=CN=C(N=C1N)SC |
| InChIKey | DBWMRNWOKNGIRM-UHFFFAOYSA-N |
Product Overview
[4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate (CAS 5171-30-2), with molecular formula C10H15N3O2S and molecular weight 241.09 g/mol. IUPAC: (4-amino-2-methylsulfanylpyrimidin-5-yl)methyl butanoate.
Chemical Property Profile of [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate
Property Insights of [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate. Following Lipinski's Rule of Five, [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate 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 [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate?
The CAS number of [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate is 5171-30-2.
What is the molecular formula of [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate?
The molecular formula of [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate is C10H15N3O2S.
What is the molecular weight of [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate?
The molecular weight of [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate is 241.09 g/mol.
Where can I buy [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate?
You can request a quote for [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for [4-Amino-2-(methylsulfanyl)pyrimidin-5-yl]methyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.