3-Methyl-2-(2-pyrimidinylthio)butanoic acid
TL;DR: 3-Methyl-2-(2-pyrimidinylthio)butanoic acid (CAS 887585-72-0) is a chemical compound with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-pyrimidin-2-ylsulfanylbutanoic acid
Also Known As: 3-Methyl-2-(2-pyrimidinylthio)butanoic acid, 3-methyl-2-pyrimidin-2-ylthiobutanoic acid, 3-methyl-2-(pyrimidin-2-ylsulfanyl)butanoic acid, AP-836/41220378, 3-methyl-2-pyrimidin-2-ylsulfanylbutanoic acid
| Molecular Formula | C9H12N2O2S |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 1.6779 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06195 |
| Heavy Atoms | 14 |
| Complexity | 302.9401 |
Chemical Identifiers
| CAS Number | 887585-72-0 |
|---|---|
| SMILES | CC(C)C(C(=O)O)SC1=NC=CC=N1 |
Product Overview
3-Methyl-2-(2-pyrimidinylthio)butanoic acid (CAS 887585-72-0), with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol. IUPAC: 3-methyl-2-pyrimidin-2-ylsulfanylbutanoic acid.
Chemical Property Profile of 3-Methyl-2-(2-pyrimidinylthio)butanoic acid
Property Insights of 3-Methyl-2-(2-pyrimidinylthio)butanoic acid
The XLogP value of 1.6779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-(2-pyrimidinylthio)butanoic acid. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-(2-pyrimidinylthio)butanoic acid. Following Lipinski's Rule of Five, 3-Methyl-2-(2-pyrimidinylthio)butanoic acid has 1 hydrogen bond donor(s) and 4 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 3-Methyl-2-(2-pyrimidinylthio)butanoic acid?
The CAS number of 3-Methyl-2-(2-pyrimidinylthio)butanoic acid is 887585-72-0.
What is the molecular formula of 3-Methyl-2-(2-pyrimidinylthio)butanoic acid?
The molecular formula of 3-Methyl-2-(2-pyrimidinylthio)butanoic acid is C9H12N2O2S.
What is the molecular weight of 3-Methyl-2-(2-pyrimidinylthio)butanoic acid?
The molecular weight of 3-Methyl-2-(2-pyrimidinylthio)butanoic acid is 212.06 g/mol.
Where can I buy 3-Methyl-2-(2-pyrimidinylthio)butanoic acid?
You can request a quote for 3-Methyl-2-(2-pyrimidinylthio)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-(2-pyrimidinylthio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-(2-pyrimidinylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.