12J-906
TL;DR: 12J-906 (CAS 306979-34-0) is a chemical compound with molecular formula C19H13F5N2S and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[difluoro-[3-(trifluoromethyl)phenyl]sulfanylmethyl]-6-methyl-2-phenylpyrimidine
Also Known As: 12J-906, 4-(difluoro{[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-6-methyl-2-phenylpyrimidine, 4-[difluoro({[3-(trifluoromethyl)phenyl]sulfanyl})methyl]-6-methyl-2-phenylpyrimidine, 4-[difluoro-[3-(trifluoromethyl)phenyl]sulfanylmethyl]-6-methyl-2-phenylpyrimidine
| Molecular Formula | C19H13F5N2S |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 6.31242 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.07196 |
| Heavy Atoms | 27 |
| Complexity | 942.3301 |
Chemical Identifiers
| CAS Number | 306979-34-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)C2=CC=CC=C2)C(F)(F)SC3=CC=CC(=C3)C(F)(F)F |
Product Overview
12J-906 (CAS 306979-34-0), with molecular formula C19H13F5N2S and molecular weight 396.07 g/mol. IUPAC: 4-[difluoro-[3-(trifluoromethyl)phenyl]sulfanylmethyl]-6-methyl-2-phenylpyrimidine.
Chemical Property Profile of 12J-906
Property Insights of 12J-906
The XLogP value of 6.31242 indicates that 12J-906 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 12J-906 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12J-906 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12J-906?
The CAS number of 12J-906 is 306979-34-0.
What is the molecular formula of 12J-906?
The molecular formula of 12J-906 is C19H13F5N2S.
What is the molecular weight of 12J-906?
The molecular weight of 12J-906 is 396.07 g/mol.
Where can I buy 12J-906?
You can request a quote for 12J-906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12J-906?
Yes, KEHONG BIO provides custom synthesis services for 12J-906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.