(4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid
TL;DR: (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid (CAS 237424-17-8) is a chemical compound with molecular formula C13H10F2N2O2S and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(difluoromethyl)-6-phenylpyrimidin-2-yl]sulfanylacetic acid
Also Known As: (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid, BAS 03050945, 2-((4-(Difluoromethyl)-6-phenylpyrimidin-2-yl)thio)acetic acid, 2-[4-(difluoromethyl)-6-phenylpyrimidin-2-yl]sulfanylacetic acid, 2,3-difluoro-4-(trifluoromethyl)benzoic Acid
| Molecular Formula | C13H10F2N2O2S |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.0431 |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 237424-17-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)O)C(F)F |
| InChIKey | PCXHALYJBRDIPI-UHFFFAOYSA-N |
Product Overview
(4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid (CAS 237424-17-8), with molecular formula C13H10F2N2O2S and molecular weight 296.04 g/mol. IUPAC: 2-[4-(difluoromethyl)-6-phenylpyrimidin-2-yl]sulfanylacetic acid.
Chemical Property Profile of (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid
Property Insights of (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid
The XLogP value of 3.0 indicates that (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid 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 (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid. Following Lipinski's Rule of Five, (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid has 1 hydrogen bond donor(s) and 7 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 (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid?
The CAS number of (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid is 237424-17-8.
What is the molecular formula of (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid?
The molecular formula of (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid is C13H10F2N2O2S.
What is the molecular weight of (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid?
The molecular weight of (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid is 296.04 g/mol.
Where can I buy (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid?
You can request a quote for (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Difluoromethyl-6-phenyl-pyrimidin-2-yl-sulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.