(E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide
TL;DR: (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide (CAS 835891-69-5) is a chemical compound with molecular formula C17H13FN2OS and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enethioamide
Also Known As: (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide, (E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enethioamide
| Molecular Formula | C17H13FN2OS |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 3.59778 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.07327 |
| Heavy Atoms | 22 |
| Complexity | 730.7494 |
Chemical Identifiers
| CAS Number | 835891-69-5 |
|---|---|
| SMILES | C1=CC(=CC=C1COC2=CC=C(C=C2)/C=C(\C#N)/C(=S)N)F |
Product Overview
(E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide (CAS 835891-69-5), with molecular formula C17H13FN2OS and molecular weight 312.07 g/mol. IUPAC: (E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enethioamide.
Chemical Property Profile of (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide
Property Insights of (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide
The XLogP value of 3.59778 indicates that (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.04 Ų, (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide has 1 hydrogen bond donor(s) and 3 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 (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide?
The CAS number of (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide is 835891-69-5.
What is the molecular formula of (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide?
The molecular formula of (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide is C17H13FN2OS.
What is the molecular weight of (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide?
The molecular weight of (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide is 312.07 g/mol.
Where can I buy (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide?
You can request a quote for (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(4-((4-fluorobenzyl)oxy)phenyl)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.