![Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]- structure](/static/products/887/88768-48-3.png)
Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]-
TL;DR: Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]- (CAS 88768-48-3) 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-(4-phenylpyrimidin-2-yl)sulfanylacetic acid
Also Known As: 2-((4-Phenylpyrimidin-2-yl)thio)acetic acid, 2-(4-phenylpyrimidin-2-yl)sulfanylacetic acid, Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]-, [(4-Phenyl-2-pyrimidinyl)thio]acetic acid, 2-(4-phenylpyrimidin-2-ylthio)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 | 257.0 |
Chemical Identifiers
| CAS Number | 88768-48-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)O |
| InChIKey | ZQOPWPIWMGJZQH-UHFFFAOYSA-N |
Product Overview
Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]- (CAS 88768-48-3), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 2-(4-phenylpyrimidin-2-yl)sulfanylacetic acid.
Chemical Property Profile of Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]-
Property Insights of Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]-. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]-. Following Lipinski's Rule of Five, Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]- 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 Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]-?
The CAS number of Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]- is 88768-48-3.
What is the molecular formula of Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]-?
The molecular formula of Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]- is C12H10N2O2S.
What is the molecular weight of Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]-?
The molecular weight of Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]- is 246.05 g/mol.
Where can I buy Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]-?
You can request a quote for Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [(4-phenyl-2-pyrimidinyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.