RefChem:1064448
TL;DR: RefChem:1064448 (CAS 107787-94-0) is a chemical compound with molecular formula C22H24N2O3S and molecular weight 396.15 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-(3-phenylpropylsulfanylmethyl)phenyl]prop-2-enamide
Also Known As: 2-Cyano-3-(3-ethoxy-4-hydroxy-5-(((3-phenylpropyl)thio)methyl)phenyl)-2-propenamide, 2-Propenamide, 2-cyano-3-(3-ethoxy-4-hydroxy-5-(((3-phenylpropyl)thio)methyl)phenyl)-, (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(3-phenylpropylsulfanylmethyl)phenyl]prop-2-enamide, RefChem:1064448
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 4.04918 |
| Topological Polar Surface Area | 96.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 873.3409 |
Chemical Identifiers
| CAS Number | 107787-94-0 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)CSCCCC2=CC=CC=C2)/C=C(\C#N)/C(=O)N |
Product Overview
RefChem:1064448 (CAS 107787-94-0), with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol. IUPAC: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(3-phenylpropylsulfanylmethyl)phenyl]prop-2-enamide.
Chemical Property Profile of RefChem:1064448
Property Insights of RefChem:1064448
The XLogP value of 4.04918 indicates that RefChem:1064448 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:1064448. Following Lipinski's Rule of Five, RefChem:1064448 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:1064448?
The CAS number of RefChem:1064448 is 107787-94-0.
What is the molecular formula of RefChem:1064448?
The molecular formula of RefChem:1064448 is C22H24N2O3S.
What is the molecular weight of RefChem:1064448?
The molecular weight of RefChem:1064448 is 396.15 g/mol.
Where can I buy RefChem:1064448?
You can request a quote for RefChem:1064448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064448?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.