![2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine structure](/static/products/137/137554-81-5.webp)
2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine
TL;DR: 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine (CAS 137554-81-5) is a chemical compound with molecular formula C16H18F2N2S and molecular weight 308.11588 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(difluoromethylsulfanyl)-5-(4-pentylphenyl)pyrimidine
Also Known As: BAS 00129963, 2-((difluoromethyl)thio)-5-(4-pentylphenyl)pyrimidine, 2-(difluoromethylsulfanyl)-5-(4-pentylphenyl)pyrimidine, 2-Difluoromethylsulfanyl-5-(4-pentyl-phenyl)-pyrimidine, 2-[(difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine
Technical Specifications
| Molecular Formula | C16H18F2N2S |
| Molecular Weight | 308.11588 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.11588 Da |
| Heavy Atoms | 21 |
| Complexity | 275.0 |
| SMILES | CCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)SC(F)F |
| InChIKey | FXXNRLQXCODEOC-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine
Property Insights of 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine
The XLogP value of 6.0 indicates that 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine?
The CAS number of 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine is 137554-81-5.
What is the molecular formula of 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine?
The molecular formula of 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine is C16H18F2N2S.
What is the molecular weight of 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine?
The molecular weight of 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine is 308.11588 g/mol.
Where can I buy 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine?
You can request a quote for 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine?
Yes, CoreyChem provides custom synthesis services for 2-[(Difluoromethyl)sulfanyl]-5-(4-pentylphenyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.