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[(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid
TL;DR: [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid (CAS 710288-20-3) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methylpyrimidin-4-yl)sulfanyl-2-phenylacetic acid
Also Known As: 2-[(6-methylpyrimidin-4-yl)sulfanyl]-2-phenylacetic acid, [(6-methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid, AB01324089-02, 2-(6-methylpyrimidin-4-yl)sulfanyl-2-phenylacetic acid, 2-(6-methylpyrimidin-4-ylthio)-2-phenylacetic acid
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.70302 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 545.6973 |
Chemical Identifiers
| CAS Number | 710288-20-3 |
|---|---|
| SMILES | CC1=CC(=NC=N1)SC(C2=CC=CC=C2)C(=O)O |
Product Overview
[(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid (CAS 710288-20-3), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 2-(6-methylpyrimidin-4-yl)sulfanyl-2-phenylacetic acid.
Chemical Property Profile of [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid
Property Insights of [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid
The XLogP value of 2.70302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid. Following Lipinski's Rule of Five, [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic 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 [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid?
The CAS number of [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid is 710288-20-3.
What is the molecular formula of [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid?
The molecular formula of [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid is C13H12N2O2S.
What is the molecular weight of [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid?
The molecular weight of [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid is 260.06 g/mol.
Where can I buy [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid?
You can request a quote for [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(6-Methylpyrimidin-4-yl)sulfanyl](phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.