Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate
TL;DR: Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate (CAS 339016-01-2) is a chemical compound with molecular formula C8H10ClN3O2S and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-amino-6-chloropyrimidin-4-yl)sulfanylpropanoate
Also Known As: methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate, Methyl 3-((2-amino-6-chloropyrimidin-4-yl)thio)propanoate, 7L-812, methyl 3-(2-amino-6-chloropyrimidin-4-yl)sulfanylpropanoate, Methyl 2-amino-6-chloropyrimidine-4-thiopropanoate
| Molecular Formula | C8H10ClN3O2S |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 1.3674 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.01822 |
| Heavy Atoms | 15 |
| Complexity | 341.49005 |
Chemical Identifiers
| CAS Number | 339016-01-2 |
|---|---|
| SMILES | COC(=O)CCSC1=CC(=NC(=N1)N)Cl |
Product Overview
Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate (CAS 339016-01-2), with molecular formula C8H10ClN3O2S and molecular weight 247.02 g/mol. IUPAC: methyl 3-(2-amino-6-chloropyrimidin-4-yl)sulfanylpropanoate.
Chemical Property Profile of Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate
Property Insights of Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate
The XLogP value of 1.3674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate. Following Lipinski's Rule of Five, Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate 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-(2-amino-6-chloropyrimidin-4-ylthio)propanoate?
The CAS number of Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate is 339016-01-2.
What is the molecular formula of Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate?
The molecular formula of Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate is C8H10ClN3O2S.
What is the molecular weight of Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate?
The molecular weight of Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate is 247.02 g/mol.
Where can I buy Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate?
You can request a quote for Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-amino-6-chloropyrimidin-4-ylthio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.