RefChem:1064444
TL;DR: RefChem:1064444 (CAS 107788-03-4) is a chemical compound with molecular formula C19H16Cl2N2O3S and molecular weight 422.02588 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-[3-[(3,4-dichlorophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxyphenyl]prop-2-enamide
Also Known As: 2-Cyano-3-(3-(((3,4-dichlorophenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-2-propenamide, 2-Propenamide, 2-cyano-3-(3-(((3,4-dichlorophenyl)thio)methyl)-5-ethoxy-4-hydroxyphenyl)-, (E)-2-cyano-3-[3-[(3,4-dichlorophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxyphenyl]prop-2-enamide
Technical Specifications
| Molecular Formula | C19H16Cl2N2O3S |
| Molecular Weight | 422.02588 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.02588 Da |
| Heavy Atoms | 27 |
| Complexity | 595.0 |
| SMILES | CCOC1=CC(=CC(=C1O)CSC2=CC(=C(C=C2)Cl)Cl)/C=C(\C#N)/C(=O)N |
| InChIKey | PTMWNAXEPJIYMT-LFYBBSHMSA-N |
Chemical Property Profile of RefChem:1064444
Property Insights of RefChem:1064444
The XLogP value of 4.4 indicates that RefChem:1064444 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064444. Following Lipinski's Rule of Five, RefChem:1064444 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
What is the CAS number of RefChem:1064444?
The CAS number of RefChem:1064444 is 107788-03-4.
What is the molecular formula of RefChem:1064444?
The molecular formula of RefChem:1064444 is C19H16Cl2N2O3S.
What is the molecular weight of RefChem:1064444?
The molecular weight of RefChem:1064444 is 422.02588 g/mol.
Where can I buy RefChem:1064444?
You can request a quote for RefChem:1064444 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1064444?
Yes, CoreyChem provides custom synthesis services for RefChem:1064444 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.