Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)-
TL;DR: Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)- (CAS 88768-49-4) is a chemical compound with molecular formula C18H14N2O2S and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetic acid
Also Known As: Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)-, 2-Pyrimidinethioacetic acid, 4,6-diphenyl-, ((4,6-Diphenyl-2-pyrimidinyl)thio)acetic acid, [(4,6-Diphenyl-2-pyrimidinyl)thio]acetic acid, 2-(4,6-diphenylpyrimidin-2-ylthio)acetic acid
| Molecular Formula | C18H14N2O2S |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.0776 |
| Heavy Atoms | 23 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 88768-49-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)O)C3=CC=CC=C3 |
| InChIKey | HNDJKKMMGOVARH-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)- (CAS 88768-49-4), with molecular formula C18H14N2O2S and molecular weight 322.08 g/mol. IUPAC: 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetic acid.
Chemical Property Profile of Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)-
Property Insights of Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)-
The XLogP value of 4.0 indicates that Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)-. Following Lipinski's Rule of Five, Acetic acid, ((4,6-diphenyl-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, ((4,6-diphenyl-2-pyrimidinyl)thio)-?
The CAS number of Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)- is 88768-49-4.
What is the molecular formula of Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)-?
The molecular formula of Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)- is C18H14N2O2S.
What is the molecular weight of Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)-?
The molecular weight of Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)- is 322.08 g/mol.
Where can I buy Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)-?
You can request a quote for Acetic acid, ((4,6-diphenyl-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, ((4,6-diphenyl-2-pyrimidinyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.