Phenyl(pyrimidin-2-ylsulfanyl) acetic acid
TL;DR: Phenyl(pyrimidin-2-ylsulfanyl) acetic acid (CAS 87125-92-6) is a chemical compound with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-pyrimidin-2-ylsulfanylacetic acid
Also Known As: IFLab1_000676, Phenyl(pyrimidin-2-ylsulfanyl) acetic acid, (2-pyrimidinylthio)phenylacetic acid, IDI1_008895, Phenyl(2-pyrimidinylsulfanyl)acetic acid
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.0463 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 87125-92-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)SC2=NC=CC=N2 |
| InChIKey | YOENNECCQWXNRA-UHFFFAOYSA-N |
Product Overview
Phenyl(pyrimidin-2-ylsulfanyl) acetic acid (CAS 87125-92-6), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 2-phenyl-2-pyrimidin-2-ylsulfanylacetic acid.
Chemical Property Profile of Phenyl(pyrimidin-2-ylsulfanyl) acetic acid
Property Insights of Phenyl(pyrimidin-2-ylsulfanyl) acetic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl(pyrimidin-2-ylsulfanyl) acetic acid. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl(pyrimidin-2-ylsulfanyl) acetic acid. Following Lipinski's Rule of Five, Phenyl(pyrimidin-2-ylsulfanyl) acetic acid has 1 hydrogen bond donor(s) and 5 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 Phenyl(pyrimidin-2-ylsulfanyl) acetic acid?
The CAS number of Phenyl(pyrimidin-2-ylsulfanyl) acetic acid is 87125-92-6.
What is the molecular formula of Phenyl(pyrimidin-2-ylsulfanyl) acetic acid?
The molecular formula of Phenyl(pyrimidin-2-ylsulfanyl) acetic acid is C12H10N2O2S.
What is the molecular weight of Phenyl(pyrimidin-2-ylsulfanyl) acetic acid?
The molecular weight of Phenyl(pyrimidin-2-ylsulfanyl) acetic acid is 246.05 g/mol.
Where can I buy Phenyl(pyrimidin-2-ylsulfanyl) acetic acid?
You can request a quote for Phenyl(pyrimidin-2-ylsulfanyl) acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl(pyrimidin-2-ylsulfanyl) acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Phenyl(pyrimidin-2-ylsulfanyl) acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.