8J-529S
TL;DR: 8J-529S (CAS 339101-87-0) is a chemical compound with molecular formula C19H15F3N2OS and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methoxyphenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine
Also Known As: 8J-529S, Methyl 3-(((5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl)sulfanyl)methyl)phenyl ether, 2-[(3-methoxyphenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine, 2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine, methyl 3-[({5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl}sulfanyl)methyl]phenyl ether
| Molecular Formula | C19H15F3N2OS |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 5.4633 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.08572 |
| Heavy Atoms | 26 |
| Complexity | 882.45276 |
Chemical Identifiers
| CAS Number | 339101-87-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC2=NC=C(C=N2)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
8J-529S (CAS 339101-87-0), with molecular formula C19H15F3N2OS and molecular weight 376.09 g/mol. IUPAC: 2-[(3-methoxyphenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine.
Chemical Property Profile of 8J-529S
Property Insights of 8J-529S
The XLogP value of 5.4633 indicates that 8J-529S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 8J-529S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8J-529S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8J-529S?
The CAS number of 8J-529S is 339101-87-0.
What is the molecular formula of 8J-529S?
The molecular formula of 8J-529S is C19H15F3N2OS.
What is the molecular weight of 8J-529S?
The molecular weight of 8J-529S is 376.09 g/mol.
Where can I buy 8J-529S?
You can request a quote for 8J-529S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8J-529S?
Yes, KEHONG BIO provides custom synthesis services for 8J-529S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.