![3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid structure](/static/products/863/863668-50-2.png)
3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid
TL;DR: 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid (CAS 863668-50-2) is a chemical compound with molecular formula C10H12F2N2O2S and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
Also Known As: 3-{2-[(difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid, 3-{2-[(difluoromethyl)thio]-4,6-dimethylpyrimidin-5-yl}propanoic acid, 3-(2-((Difluoromethyl)thio)-4,6-dimethylpyrimidin-5-yl)propanoic acid, 3-[2-(difluoromethylsulfanyl)-4,6-dimethyl-pyrimidin-5-yl]propanoic Acid, 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
| Molecular Formula | C10H12F2N2O2S |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 2.42534 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.05875 |
| Heavy Atoms | 17 |
| Complexity | 403.7621 |
Chemical Identifiers
| CAS Number | 863668-50-2 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SC(F)F)C)CCC(=O)O |
Product Overview
3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid (CAS 863668-50-2), with molecular formula C10H12F2N2O2S and molecular weight 262.06 g/mol. IUPAC: 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid.
Chemical Property Profile of 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid
Property Insights of 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid
The XLogP value of 2.42534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid. Following Lipinski's Rule of Five, 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic 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 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid?
The CAS number of 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid is 863668-50-2.
What is the molecular formula of 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid?
The molecular formula of 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid is C10H12F2N2O2S.
What is the molecular weight of 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid?
The molecular weight of 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid is 262.06 g/mol.
Where can I buy 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid?
You can request a quote for 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{2-[(Difluoromethyl)sulfanyl]-4,6-dimethylpyrimidin-5-yl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.