![2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol structure](/static/products/4778/477859-75-9.webp)
2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol
TL;DR: 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol (CAS 477859-75-9) is a chemical compound with molecular formula C11H8F2N2OS and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(difluoromethylsulfanyl)pyrimidin-4-yl]phenol
Also Known As: 2-{2-[(difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol, 2-{2-[(difluoromethyl)sulfanyl]pyrimidin-4-yl}phenol, 2-[2-(difluoromethylsulfanyl)pyrimidin-4-yl]phenol, 12M-719, (6E)-6-[2-(difluoromethylsulfanyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C11H8F2N2OS |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 3.1639 |
| Topological Polar Surface Area | 46.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03255 |
| Heavy Atoms | 17 |
| Complexity | 522.3295 |
Chemical Identifiers
| CAS Number | 477859-75-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(=NC=C2)SC(F)F)O |
Product Overview
2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol (CAS 477859-75-9), with molecular formula C11H8F2N2OS and molecular weight 254.03 g/mol. IUPAC: 2-[2-(difluoromethylsulfanyl)pyrimidin-4-yl]phenol.
Chemical Property Profile of 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol
Property Insights of 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol
The XLogP value of 3.1639 indicates that 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.01 Ų, 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol 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 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol?
The CAS number of 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol is 477859-75-9.
What is the molecular formula of 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol?
The molecular formula of 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol is C11H8F2N2OS.
What is the molecular weight of 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol?
The molecular weight of 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol is 254.03 g/mol.
Where can I buy 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol?
You can request a quote for 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-[(Difluoromethyl)sulfanyl]-4-pyrimidinyl}benzenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.