Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester
TL;DR: Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester (CAS 95546-88-6) is a chemical compound with molecular formula C12H17N3O2S and molecular weight 267.10416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetate
Also Known As: Methyl (7-piperidinopyrimidin-4-ylthio)acetate, ACETIC ACID, ((6-(1-PIPERIDINYL)-4-PYRIMIDINYL)THIO)-, METHYL ESTER, ((6-(1-Piperidinyl)-4-pyrimidinyl)thio)acetic acid methyl ester, methyl 2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetate, F5686-1101
Technical Specifications
| Molecular Formula | C12H17N3O2S |
| Molecular Weight | 267.10416 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.10416 Da |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
| SMILES | COC(=O)CSC1=NC=NC(=C1)N2CCCCC2 |
| InChIKey | XPUWRMOAGWTSMX-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester
Property Insights of Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester?
The CAS number of Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester is 95546-88-6.
What is the molecular formula of Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester?
The molecular formula of Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester is C12H17N3O2S.
What is the molecular weight of Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester?
The molecular weight of Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester is 267.10416 g/mol.
Where can I buy Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester?
You can request a quote for Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((6-(1-piperidinyl)-4-pyrimidinyl)thio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.