JARID1B Demethylase Inhibitor
TL;DR: JARID1B Demethylase Inhibitor (CAS 351190-46-0) is a chemical compound with molecular formula C16H8F3N3S and molecular weight 331.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-pyridin-4-yl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile
Also Known As: JARID1B Demethylase Inhibitor, (E)-3-pyridin-4-yl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile, 3-Pyridin-4-yl-2-(5-trifluoromethyl-benzothiazol-2-yl)-acrylonitrile
| Molecular Formula | C16H8F3N3S |
|---|---|
| Molecular Weight | 331.04 g/mol |
| LogP | 4.77428 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.0391 |
| Heavy Atoms | 23 |
| Complexity | 921.1337 |
Chemical Identifiers
| CAS Number | 351190-46-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(F)(F)F)N=C(S2)/C(=C/C3=CC=NC=C3)/C#N |
Product Overview
JARID1B Demethylase Inhibitor (CAS 351190-46-0), with molecular formula C16H8F3N3S and molecular weight 331.04 g/mol. IUPAC: (E)-3-pyridin-4-yl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of JARID1B Demethylase Inhibitor
Property Insights of JARID1B Demethylase Inhibitor
The XLogP value of 4.77428 indicates that JARID1B Demethylase Inhibitor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, JARID1B Demethylase Inhibitor exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, JARID1B Demethylase Inhibitor has 0 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 JARID1B Demethylase Inhibitor?
The CAS number of JARID1B Demethylase Inhibitor is 351190-46-0.
What is the molecular formula of JARID1B Demethylase Inhibitor?
The molecular formula of JARID1B Demethylase Inhibitor is C16H8F3N3S.
What is the molecular weight of JARID1B Demethylase Inhibitor?
The molecular weight of JARID1B Demethylase Inhibitor is 331.04 g/mol.
Where can I buy JARID1B Demethylase Inhibitor?
You can request a quote for JARID1B Demethylase Inhibitor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JARID1B Demethylase Inhibitor?
Yes, KEHONG BIO provides custom synthesis services for JARID1B Demethylase Inhibitor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.