RefChem:1064453
TL;DR: RefChem:1064453 (CAS 107787-93-9) is a chemical compound with molecular formula C19H13F5N2O3S and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]phenyl]prop-2-enamide
Also Known As: 2-Cyano-3-(3-ethoxy-4-hydroxy-5-(((pentafluorophenyl)thio)methyl)phenyl)-2-propenamide, 2-Propenamide, 2-cyano-3-(3-ethoxy-4-hydroxy-5-(((pentafluorophenyl)thio)methyl)phenyl)-, (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]phenyl]prop-2-enamide, RefChem:1064453
| Molecular Formula | C19H13F5N2O3S |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 4.17098 |
| Topological Polar Surface Area | 96.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.0567 |
| Heavy Atoms | 30 |
| Complexity | 1054.0554 |
Chemical Identifiers
| CAS Number | 107787-93-9 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)CSC2=C(C(=C(C(=C2F)F)F)F)F)/C=C(\C#N)/C(=O)N |
Product Overview
RefChem:1064453 (CAS 107787-93-9), with molecular formula C19H13F5N2O3S and molecular weight 444.06 g/mol. IUPAC: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]phenyl]prop-2-enamide.
Chemical Property Profile of RefChem:1064453
Property Insights of RefChem:1064453
The XLogP value of 4.17098 indicates that RefChem:1064453 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.34 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064453. Following Lipinski's Rule of Five, RefChem:1064453 has 2 hydrogen bond donor(s) and 5 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 RefChem:1064453?
The CAS number of RefChem:1064453 is 107787-93-9.
What is the molecular formula of RefChem:1064453?
The molecular formula of RefChem:1064453 is C19H13F5N2O3S.
What is the molecular weight of RefChem:1064453?
The molecular weight of RefChem:1064453 is 444.06 g/mol.
Where can I buy RefChem:1064453?
You can request a quote for RefChem:1064453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064453?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.