12Y-0803
TL;DR: 12Y-0803 (CAS 900019-54-7) is a chemical compound with molecular formula C16H11F3N2O and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1-methylpyrrole-2-carbonyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Also Known As: 12Y-0803, (E)-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-[2-(trifluoromethyl)phenyl]-2-propenenitrile, (2E)-2-[(E)-1-methyl-1H-pyrrole-2-carbonyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile, (E)-2-(1-methylpyrrole-2-carbonyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
| Molecular Formula | C16H11F3N2O |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 3.83378 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.08234 |
| Heavy Atoms | 22 |
| Complexity | 779.174 |
Chemical Identifiers
| CAS Number | 900019-54-7 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)/C(=C/C2=CC=CC=C2C(F)(F)F)/C#N |
Product Overview
12Y-0803 (CAS 900019-54-7), with molecular formula C16H11F3N2O and molecular weight 304.08 g/mol. IUPAC: (E)-2-(1-methylpyrrole-2-carbonyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile.
Chemical Property Profile of 12Y-0803
Property Insights of 12Y-0803
The XLogP value of 3.83378 indicates that 12Y-0803 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 12Y-0803 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12Y-0803 has 0 hydrogen bond donor(s) and 2 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 12Y-0803?
The CAS number of 12Y-0803 is 900019-54-7.
What is the molecular formula of 12Y-0803?
The molecular formula of 12Y-0803 is C16H11F3N2O.
What is the molecular weight of 12Y-0803?
The molecular weight of 12Y-0803 is 304.08 g/mol.
Where can I buy 12Y-0803?
You can request a quote for 12Y-0803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12Y-0803?
Yes, KEHONG BIO provides custom synthesis services for 12Y-0803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.