Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide
TL;DR: Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide (CAS 477859-74-8) is a chemical compound with molecular formula C12H10F2N2S and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(difluoromethylsulfanyl)-4-(4-methylphenyl)pyrimidine
Also Known As: difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide, 2-(difluoromethylsulfanyl)-4-(4-methylphenyl)pyrimidine, 2-[(difluoromethyl)sulfanyl]-4-(4-methylphenyl)pyrimidine, 12M-718
| Molecular Formula | C12H10F2N2S |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 3.76672 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.05327 |
| Heavy Atoms | 17 |
| Complexity | 500.11374 |
Chemical Identifiers
| CAS Number | 477859-74-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=NC=C2)SC(F)F |
Product Overview
Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide (CAS 477859-74-8), with molecular formula C12H10F2N2S and molecular weight 252.05 g/mol. IUPAC: 2-(difluoromethylsulfanyl)-4-(4-methylphenyl)pyrimidine.
Chemical Property Profile of Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide
Property Insights of Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide
The XLogP value of 3.76672 indicates that Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide has 0 hydrogen bond donor(s) and 3 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 Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide?
The CAS number of Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide is 477859-74-8.
What is the molecular formula of Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide?
The molecular formula of Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide is C12H10F2N2S.
What is the molecular weight of Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide?
The molecular weight of Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide is 252.05 g/mol.
Where can I buy Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide?
You can request a quote for Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Difluoromethyl 4-(4-methylphenyl)-2-pyrimidinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.