EP 10161
TL;DR: EP 10161 (CAS 108612-39-1) is a chemical compound with molecular formula C18H15F3O2S and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-2-[2-(trifluoromethyl)phenyl]-4H-thiochromene
Also Known As: 6,7-Dimethoxy-2-(2-trifluoromethylphenyl)-4H-thiochromene, 4-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one, 6,7-dimethoxy-2-[2-(trifluoromethyl)phenyl]-4H-thiochromene, 4H-1-Benzothiopyran,6,7-dimethoxy-2-[2-(trifluoromethyl)phenyl]-, 4H-1-Benzothiopyran, 6,7-dimethoxy-2-(2-(trifluoromethyl)phenyl)-
| Molecular Formula | C18H15F3O2S |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.0745 |
| Heavy Atoms | 24 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 108612-39-1 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CC=C(S2)C3=CC=CC=C3C(F)(F)F)OC |
| InChIKey | BRMUHUFQEDLVAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EP 10161 (CAS 108612-39-1), with molecular formula C18H15F3O2S and molecular weight 352.07 g/mol. IUPAC: 6,7-dimethoxy-2-[2-(trifluoromethyl)phenyl]-4H-thiochromene.
Chemical Property Profile of EP 10161
Property Insights of EP 10161
The XLogP value of 5.3 indicates that EP 10161 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, EP 10161 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EP 10161 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EP 10161?
The CAS number of EP 10161 is 108612-39-1.
What is the molecular formula of EP 10161?
The molecular formula of EP 10161 is C18H15F3O2S.
What is the molecular weight of EP 10161?
The molecular weight of EP 10161 is 352.07 g/mol.
Where can I buy EP 10161?
You can request a quote for EP 10161 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EP 10161?
Yes, KEHONG BIO provides custom synthesis services for EP 10161 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.