(E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile (CAS 1251904-00-3) is a chemical compound with molecular formula C16H10FNO2 and molecular weight 267.06955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile
Also Known As: (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile, (Z)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile, (2Z)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)-2-propenenitrile
Technical Specifications
| Molecular Formula | C16H10FNO2 |
| Molecular Weight | 267.06955 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.06955 Da |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C3=CC(=CC=C3)F |
| InChIKey | SBILMTRMWVYZQJ-AWNIVKPZSA-N |
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile
The XLogP value of 3.6 indicates that (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile 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
What is the CAS number of (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile is 1251904-00-3.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile is C16H10FNO2.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile is 267.06955 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.